3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide

C9H12ClN3O3 — CID 65480576

IUPAC3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide
SMILESCc1noc(NC(=O)NC(=O)CCCl)c1C
InChIInChI=1S/C9H12ClN3O3/c1-5-6(2)13-16-8(5)12-9(15)11-7(14)3-4-10/h3-4H2,1-2H3,(H2,11,12,14,15)
InChIKeyAKLCTIVYKUHNHH-UHFFFAOYSA-N
MW245.67 g/mol
LogP1.57
Rot. Bonds3

About 3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide

3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide (PubChem CID 65480576) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is 3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide
PubChem CID65480576
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC Name3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide
SMILESCc1noc(NC(=O)NC(=O)CCCl)c1C
InChIInChI=1S/C9H12ClN3O3/c1-5-6(2)13-16-8(5)12-9(15)11-7(14)3-4-10/h3-4H2,1-2H3,(H2,11,12,14,15)
InChIKeyAKLCTIVYKUHNHH-UHFFFAOYSA-N
XLogP1.57
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethyl-1,2-oxazol-5-yl)-3-propylurea
CID 115672493
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2,2-dimethylpropanamide
CID 115426793
4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide
CID 65487579
methyl 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoacetate
CID 112617370
3-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]propanamide
CID 106421413
2-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbutanamide
CID 114291610
3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide
CID 130979130
4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 28746271
1-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)cyclobutane-1-carboxamide
CID 81169241
propan-2-yl N-(3,4-dimethyl-1,2-oxazol-5-yl)carbamate
CID 116656454
3,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide
CID 65486049
(2S)-2-amino-N-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961403

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide (CID 65480576) is 3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide is Cc1noc(NC(=O)NC(=O)CCCl)c1C.
What is the InChIKey of 3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide?
The InChIKey is AKLCTIVYKUHNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3/c1-5-6(2)13-16-8(5)12-9(15)11-7(14)3-4-10/h3-4H2,1-2H3,(H2,11,12,14,15).
What are the key properties of 3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide?
3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide has a molecular weight of 245.67 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]propanamide is sourced from PubChem (CID 65480576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).