3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide

C16H17N3O5 — CID 154877055

IUPAC3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CN(C(=O)c3cc(=O)[nH]o3)C2)cc1CO
InChIInChI=1S/C16H17N3O5/c1-9-2-3-10(4-11(9)8-20)15(22)17-12-6-19(7-12)16(23)13-5-14(21)18-24-13/h2-5,12,20H,6-8H2,1H3,(H,17,22)(H,18,21)
InChIKeyKHMYHALMHCLTNB-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.02
Rot. Bonds4

About 3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide

3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide (PubChem CID 154877055) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide
PubChem CID154877055
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CN(C(=O)c3cc(=O)[nH]o3)C2)cc1CO
InChIInChI=1S/C16H17N3O5/c1-9-2-3-10(4-11(9)8-20)15(22)17-12-6-19(7-12)16(23)13-5-14(21)18-24-13/h2-5,12,20H,6-8H2,1H3,(H,17,22)(H,18,21)
InChIKeyKHMYHALMHCLTNB-UHFFFAOYSA-N
XLogP0.02
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
CID 142826121
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557334
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 102936157
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide
CID 51160837
3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide
CID 146022969
3-hydroxy-4-methyl-N-[4-(propylamino)cyclohexyl]benzamide
CID 43653447

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide?
The IUPAC name of 3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide (CID 154877055) is 3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide.
What is the SMILES notation for 3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide?
The canonical SMILES for 3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide is Cc1ccc(C(=O)NC2CN(C(=O)c3cc(=O)[nH]o3)C2)cc1CO.
What is the InChIKey of 3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide?
The InChIKey is KHMYHALMHCLTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-9-2-3-10(4-11(9)8-20)15(22)17-12-6-19(7-12)16(23)13-5-14(21)18-24-13/h2-5,12,20H,6-8H2,1H3,(H,17,22)(H,18,21).
What are the key properties of 3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide?
3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide has a molecular weight of 331.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4-methyl-N-[1-(3-oxo-1,2-oxazole-5-carbonyl)azetidin-3-yl]benzamide is sourced from PubChem (CID 154877055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).