3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole — IUPAC name, SMILES, InChIKey & properties

Name: 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (PubChem CID 160970487) has the molecular formula C79H55F12N11O13S and a molecular weight of 1626.42 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

Molecular Properties

Compound Name	3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
PubChem CID	160970487
Molecular Formula	C79H55F12N11O13S
Molecular Weight	1626.42 g/mol
Exact Mass	1625.35
IUPAC Name	3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
SMILES	Cc1cnc(C(C)Oc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)o1.Cc1nccnc1COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4cnccn4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4nnc(C5CC5)s4)c3c2)cc1
InChI	InChI=1S/C20H14F3N3O3S.C20H14F3N3O3.C20H15F3N2O4.C19H12F3N3O3/c21-20(22,23)28-14-6-3-11(4-7-14)13-5-8-16-15(9-13)18(26-29-16)27-10-17-24-25-19(30-17)12-1-2-12;1-12-17(25-9-8-24-12)11-27-19-16-10-14(4-7-18(16)29-26-19)13-2-5-15(6-3-13)28-20(21,22)23;1-11-10-24-18(26-11)12(2)27-19-16-9-14(5-8-17(16)29-25-19)13-3-6-15(7-4-13)28-20(21,22)23;20-19(21,22)27-15-4-1-12(2-5-15)13-3-6-17-16(9-13)18(25-28-17)26-11-14-10-23-7-8-24-14/h3-9,12H,1-2,10H2;2-10H,11H2,1H3;3-10,12H,1-2H3;1-10H,11H2
InChIKey	SYEOHNISBBWZEG-UHFFFAOYSA-N
XLogP	21.36
TPSA	281.33 Å²
H-Bond Donors
H-Bond Acceptors	25
Rotatable Bonds	21
Heavy Atoms	116
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1626.42
LogP ≤ 5	21.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Analyze 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The IUPAC name of 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (CID 160970487) is 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

What is the SMILES notation for 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The canonical SMILES for 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is Cc1cnc(C(C)Oc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)o1.Cc1nccnc1COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4cnccn4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4nnc(C5CC5)s4)c3c2)cc1.

What is the InChIKey of 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

The InChIKey is SYEOHNISBBWZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3S.C20H14F3N3O3.C20H15F3N2O4.C19H12F3N3O3/c21-20(22,23)28-14-6-3-11(4-7-14)13-5-8-16-15(9-13)18(26-29-16)27-10-17-24-25-19(30-17)12-1-2-12;1-12-17(25-9-8-24-12)11-27-19-16-10-14(4-7-18(16)29-26-19)13-2-5-15(6-3-13)28-20(21,22)23;1-11-10-24-18(26-11)12(2)27-19-16-9-14(5-8-17(16)29-25-19)13-3-6-15(7-4-13)28-20(21,22)23;20-19(21,22)27-15-4-1-12(2-5-15)13-3-6-17-16(9-13)18(25-28-17)26-11-14-10-23-7-8-24-14/h3-9,12H,1-2,10H2;2-10H,11H2,1H3;3-10,12H,1-2H3;1-10H,11H2.

What are the key properties of 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?

Where does this data come from?

All data for 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[1-(5-methyl-1,3-oxazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is sourced from PubChem (CID 160970487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).