N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C9H13ClN2O2 — CID 114299594

IUPACN-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C)CCl)o1
InChIInChI=1S/C9H13ClN2O2/c1-5(4-10)11-9(13)8-6(2)12-7(3)14-8/h5H,4H2,1-3H3,(H,11,13)
InChIKeyNJJYZVQEZQQYSV-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.65
Rot. Bonds3

About N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 114299594) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID114299594
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC NameN-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C)CCl)o1
InChIInChI=1S/C9H13ClN2O2/c1-5(4-10)11-9(13)8-6(2)12-7(3)14-8/h5H,4H2,1-3H3,(H,11,13)
InChIKeyNJJYZVQEZQQYSV-UHFFFAOYSA-N
XLogP1.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 114299594) is N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NC(C)CCl)o1.
What is the InChIKey of N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is NJJYZVQEZQQYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-5(4-10)11-9(13)8-6(2)12-7(3)14-8/h5H,4H2,1-3H3,(H,11,13).
What are the key properties of N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 216.67 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 114299594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).