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

C10H14ClN3O3 — CID 79238382

IUPAC2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide
SMILESCc1noc(C)c1CNC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C10H14ClN3O3/c1-5(11)9(15)13-10(16)12-4-8-6(2)14-17-7(8)3/h5H,4H2,1-3H3,(H2,12,13,15,16)
InChIKeyBLOUMXXNCJVRKQ-UHFFFAOYSA-N
MW259.69 g/mol
LogP1.24
Rot. Bonds3

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

2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide (PubChem CID 79238382) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide
PubChem CID79238382
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide
SMILESCc1noc(C)c1CNC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C10H14ClN3O3/c1-5(11)9(15)13-10(16)12-4-8-6(2)14-17-7(8)3/h5H,4H2,1-3H3,(H2,12,13,15,16)
InChIKeyBLOUMXXNCJVRKQ-UHFFFAOYSA-N
XLogP1.24
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.24
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

2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbutanamide
CID 47861597
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 79236085
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1S)-1-(3,5-dimethylphenyl)ethyl]urea
CID 95615935
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethyl)urea
CID 47856555
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 97314303
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea
CID 79231131
2-chloro-N-(1,2-oxazol-3-ylmethylcarbamoyl)propanamide
CID 81177144
2-chloro-N-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)propanamide
CID 106405226
2-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 79236983
1-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 81168317

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide (CID 79238382) is 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide is Cc1noc(C)c1CNC(=O)NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide?
The InChIKey is BLOUMXXNCJVRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-5(11)9(15)13-10(16)12-4-8-6(2)14-17-7(8)3/h5H,4H2,1-3H3,(H2,12,13,15,16).
What are the key properties of 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide?
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide has a molecular weight of 259.69 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]propanamide is sourced from PubChem (CID 79238382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).