2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide

C18H20ClN3O3 — CID 4596926

IUPAC2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide
SMILESCc1cc(NC(=O)CN(CC2CC2)C(=O)C(Cl)c2ccccc2)no1
InChIInChI=1S/C18H20ClN3O3/c1-12-9-15(21-25-12)20-16(23)11-22(10-13-7-8-13)18(24)17(19)14-5-3-2-4-6-14/h2-6,9,13,17H,7-8,10-11H2,1H3,(H,20,21,23)
InChIKeyPWFDUGQSWWTKAL-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.14
Rot. Bonds7

About 2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide

2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 4596926) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide
PubChem CID4596926
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide
SMILESCc1cc(NC(=O)CN(CC2CC2)C(=O)C(Cl)c2ccccc2)no1
InChIInChI=1S/C18H20ClN3O3/c1-12-9-15(21-25-12)20-16(23)11-22(10-13-7-8-13)18(24)17(19)14-5-3-2-4-6-14/h2-6,9,13,17H,7-8,10-11H2,1H3,(H,20,21,23)
InChIKeyPWFDUGQSWWTKAL-UHFFFAOYSA-N
XLogP3.14
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814632
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 814627
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 814628
4-chloro-N-(cyclohexylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770365
2-[(2-chloroacetyl)-(cyclohexylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770361
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 4169989
N-(cyclohexylmethyl)-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770363
(2S)-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 7413286
2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 3538590
2-[cyclohexylmethyl-[(3-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770452
2-[cyclohexylmethyl-(2-methoxyacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770388
(2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 7225268

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide (CID 4596926) is 2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide is Cc1cc(NC(=O)CN(CC2CC2)C(=O)C(Cl)c2ccccc2)no1.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is PWFDUGQSWWTKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-12-9-15(21-25-12)20-16(23)11-22(10-13-7-8-13)18(24)17(19)14-5-3-2-4-6-14/h2-6,9,13,17H,7-8,10-11H2,1H3,(H,20,21,23).
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide?
2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 361.83 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 4596926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).