3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide

C19H23N3O3 — CID 110426976

IUPAC3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CC(=O)NCC(=O)Nc2cc(C)on2)C2CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-12-3-5-14(6-4-12)16(15-7-8-15)10-18(23)20-11-19(24)21-17-9-13(2)25-22-17/h3-6,9,15-16H,7-8,10-11H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyYWLBIQJKPIRFGG-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.93
Rot. Bonds7

About 3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide

3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide (PubChem CID 110426976) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
PubChem CID110426976
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(C(CC(=O)NCC(=O)Nc2cc(C)on2)C2CC2)cc1
InChIInChI=1S/C19H23N3O3/c1-12-3-5-14(6-4-12)16(15-7-8-15)10-18(23)20-11-19(24)21-17-9-13(2)25-22-17/h3-6,9,15-16H,7-8,10-11H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyYWLBIQJKPIRFGG-UHFFFAOYSA-N
XLogP2.93
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide
CID 110304406
3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110297316
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide
CID 110311105
1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110624664
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110310845
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110619289
3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide
CID 110306942
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
CID 113002379
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 110606301
3-acetamido-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 110614580
N-[2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110671903
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 110605031

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide (CID 110426976) is 3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide is Cc1ccc(C(CC(=O)NCC(=O)Nc2cc(C)on2)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is YWLBIQJKPIRFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-3-5-14(6-4-12)16(15-7-8-15)10-18(23)20-11-19(24)21-17-9-13(2)25-22-17/h3-6,9,15-16H,7-8,10-11H2,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of 3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide?
3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 341.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110426976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).