(5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide

C16H17ClN4O2 — CID 100756108

IUPAC(5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide
SMILESCN(C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)c1cnn(C)c1
InChIInChI=1S/C16H17ClN4O2/c1-16(15(22)21(3)11-9-18-20(2)10-11)8-14(19-23-16)12-6-4-5-7-13(12)17/h4-7,9-10H,8H2,1-3H3/t16-/m1/s1
InChIKeySZTRJYJAZFTLTG-MRXNPFEDSA-N
MW332.79 g/mol
LogP2.62
Rot. Bonds3

About (5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide

(5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 100756108) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is (5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide
PubChem CID100756108
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name(5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide
SMILESCN(C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)c1cnn(C)c1
InChIInChI=1S/C16H17ClN4O2/c1-16(15(22)21(3)11-9-18-20(2)10-11)8-14(19-23-16)12-6-4-5-7-13(12)17/h4-7,9-10H,8H2,1-3H3/t16-/m1/s1
InChIKeySZTRJYJAZFTLTG-MRXNPFEDSA-N
XLogP2.62
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide (CID 100756108) is (5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide is CN(C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1)c1cnn(C)c1.
What is the InChIKey of (5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is SZTRJYJAZFTLTG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-16(15(22)21(3)11-9-18-20(2)10-11)8-14(19-23-16)12-6-4-5-7-13(12)17/h4-7,9-10H,8H2,1-3H3/t16-/m1/s1.
What are the key properties of (5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide?
(5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-chlorophenyl)-N,5-dimethyl-N-(1-methylpyrazol-4-yl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100756108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).