N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide

C21H21N3O3 — CID 46989874

IUPACN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(C)Cc2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C21H21N3O3/c1-3-20(25)22-17-11-7-10-16(12-17)21(26)24(2)14-18-13-19(23-27-18)15-8-5-4-6-9-15/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeyLGSHIOAQOLPPOO-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.96
Rot. Bonds6

About N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide

N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide (PubChem CID 46989874) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide
PubChem CID46989874
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(C)Cc2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C21H21N3O3/c1-3-20(25)22-17-11-7-10-16(12-17)21(26)24(2)14-18-13-19(23-27-18)15-8-5-4-6-9-15/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeyLGSHIOAQOLPPOO-UHFFFAOYSA-N
XLogP3.96
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetamide
CID 37131235
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72902762
N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 70777582
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 70771738
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide
CID 70757281
N-benzyl-N-methyl-3-[(2-phenoxyacetyl)amino]benzamide
CID 26162773
N-benzyl-3-[[2-(N-ethylanilino)acetyl]amino]-N-methylbenzamide
CID 54808952
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide
CID 46988992
N-(3-acetylphenyl)propanamide
CID 903063

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide (CID 46989874) is N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)N(C)Cc2cc(-c3ccccc3)no2)c1.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide?
The InChIKey is LGSHIOAQOLPPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-20(25)22-17-11-7-10-16(12-17)21(26)24(2)14-18-13-19(23-27-18)15-8-5-4-6-9-15/h4-13H,3,14H2,1-2H3,(H,22,25).
What are the key properties of N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide?
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide is sourced from PubChem (CID 46989874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).