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

C12H16ClN3O3 — CID 3538590

IUPAC2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
SMILESCc1cc(NC(=O)CN(C(=O)C(C)Cl)C2CC2)no1
InChIInChI=1S/C12H16ClN3O3/c1-7-5-10(15-19-7)14-11(17)6-16(9-3-4-9)12(18)8(2)13/h5,8-9H,3-4,6H2,1-2H3,(H,14,15,17)
InChIKeyPLTYOIHQVIWFDO-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.54
Rot. Bonds5

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

2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide (PubChem CID 3538590) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
PubChem CID3538590
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
SMILESCc1cc(NC(=O)CN(C(=O)C(C)Cl)C2CC2)no1
InChIInChI=1S/C12H16ClN3O3/c1-7-5-10(15-19-7)14-11(17)6-16(9-3-4-9)12(18)8(2)13/h5,8-9H,3-4,6H2,1-2H3,(H,14,15,17)
InChIKeyPLTYOIHQVIWFDO-UHFFFAOYSA-N
XLogP1.54
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.54
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-cyclopropyl-2,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 42768935
N-cyclopropyl-3,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]butanamide
CID 42768931
2-chloro-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 4167041
N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide
CID 814043
N-cyclohexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 42768746
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417
3-bromo-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3456125
2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 99106839
2-chloro-N-cyclohexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770204
(2R)-2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 54996242
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607199
2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide
CID 4596926

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide (CID 3538590) is 2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide is Cc1cc(NC(=O)CN(C(=O)C(C)Cl)C2CC2)no1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide?
The InChIKey is PLTYOIHQVIWFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-7-5-10(15-19-7)14-11(17)6-16(9-3-4-9)12(18)8(2)13/h5,8-9H,3-4,6H2,1-2H3,(H,14,15,17).
What are the key properties of 2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide?
2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide has a molecular weight of 285.73 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 3538590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).