N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide

C15H17N3O3 — CID 47935404

IUPACN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1noc(C)c1CNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-10-13(11(2)21-18-10)8-16-14(19)9-17-15(20)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyYKDSQUMHNGGLSA-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.34
Rot. Bonds5

About N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 47935404) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide
PubChem CID47935404
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1noc(C)c1CNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-10-13(11(2)21-18-10)8-16-14(19)9-17-15(20)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyYKDSQUMHNGGLSA-UHFFFAOYSA-N
XLogP1.34
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 47935324
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbenzamide
CID 47861733
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxybenzamide
CID 79241601
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(ethylamino)acetamide
CID 79236491
N-[2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110671903
N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 23654563
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,5-triethoxybenzamide
CID 47861587
4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119182646
3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide
CID 75462228
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbutanamide
CID 47861597
3-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-1-benzofuran-2-carboxylic acid
CID 138044123

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide (CID 47935404) is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide is Cc1noc(C)c1CNC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is YKDSQUMHNGGLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-13(11(2)21-18-10)8-16-14(19)9-17-15(20)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide?
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 287.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 47935404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).