4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C18H19N3O4S — CID 162506123

IUPAC4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1cc(C(C)(C)O)ccc1C(=O)NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C18H19N3O4S/c1-18(2,23)11-6-7-12(13(9-11)24-3)16(22)19-10-15-20-21-17(25-15)14-5-4-8-26-14/h4-9,23H,10H2,1-3H3,(H,19,22)
InChIKeyNUDPUXPLRKQHPO-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.96
Rot. Bonds6

About 4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 162506123) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID162506123
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1cc(C(C)(C)O)ccc1C(=O)NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C18H19N3O4S/c1-18(2,23)11-6-7-12(13(9-11)24-3)16(22)19-10-15-20-21-17(25-15)14-5-4-8-26-14/h4-9,23H,10H2,1-3H3,(H,19,22)
InChIKeyNUDPUXPLRKQHPO-UHFFFAOYSA-N
XLogP2.96
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 162506123) is 4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is COc1cc(C(C)(C)O)ccc1C(=O)NCc1nnc(-c2cccs2)o1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is NUDPUXPLRKQHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-18(2,23)11-6-7-12(13(9-11)24-3)16(22)19-10-15-20-21-17(25-15)14-5-4-8-26-14/h4-9,23H,10H2,1-3H3,(H,19,22).
What are the key properties of 4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 373.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-2-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 162506123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).