2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C19H14F6N2O3 — CID 10137647

IUPAC2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCOc1ccc(-c2noc(N)c2-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H14F6N2O3/c1-29-13-8-4-11(5-9-13)15-14(16(26)30-27-15)10-2-6-12(7-3-10)17(28,18(20,21)22)19(23,24)25/h2-9,28H,26H2,1H3
InChIKeyBRQVWDYNTPKSDT-UHFFFAOYSA-N
MW432.32 g/mol
LogP4.91
Rot. Bonds4

About 2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 10137647) has the molecular formula C19H14F6N2O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is 2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID10137647
Molecular FormulaC19H14F6N2O3
Molecular Weight432.32 g/mol
Exact Mass432.09
IUPAC Name2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCOc1ccc(-c2noc(N)c2-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H14F6N2O3/c1-29-13-8-4-11(5-9-13)15-14(16(26)30-27-15)10-2-6-12(7-3-10)17(28,18(20,21)22)19(23,24)25/h2-9,28H,26H2,1H3
InChIKeyBRQVWDYNTPKSDT-UHFFFAOYSA-N
XLogP4.91
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

4-(3,4-Dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 853148
3,4-Bis(4-methoxyphenyl)-5-methylisoxazole
CID 3954928
2-(4-(5-Amino-3-isopropylisoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 9969262
2-(4-(5-Amino-3-ethylisoxazol-4-yl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10155073
3-(5-Amino-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)isoxazol-3-yl)propan-1-ol
CID 10156838
2-[4-(5-Amino-3-butyl-1,2-oxazol-4-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10199888
2-{4-[5-Amino-3-(ethoxymethyl)-1,2-oxazol-4-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10221600
3-(4-Methoxyphenyl)-4-phenyl-1,2-oxazole
CID 12330185
5-(2-Hydroxyethyl)-3,4-bis(4-methoxyphenyl)isoxazole
CID 18998922
4-(4-Phenyl-5-(trifluoromethyl)isoxazol-3-yl)phenol
CID 135432882
5-Ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole
CID 153320917
5-(Fluoromethyl)-3,4-bis(4-methoxyphenyl)-1,2-oxazole
CID 153320918

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 10137647) is 2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is COc1ccc(-c2noc(N)c2-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is BRQVWDYNTPKSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N2O3/c1-29-13-8-4-11(5-9-13)15-14(16(26)30-27-15)10-2-6-12(7-3-10)17(28,18(20,21)22)19(23,24)25/h2-9,28H,26H2,1H3.
What are the key properties of 2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 432.32 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 10137647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).