5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide

C15H17ClN2O3 — CID 75448483

IUPAC5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(CCO)NC(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H17ClN2O3/c1-15(2,7-8-19)17-14(20)12-9-13(21-18-12)10-3-5-11(16)6-4-10/h3-6,9,19H,7-8H2,1-2H3,(H,17,20)
InChIKeyXSBPIFNCGNRRFS-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.89
Rot. Bonds5

About 5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 75448483) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID75448483
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(CCO)NC(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H17ClN2O3/c1-15(2,7-8-19)17-14(20)12-9-13(21-18-12)10-3-5-11(16)6-4-10/h3-6,9,19H,7-8H2,1-2H3,(H,17,20)
InChIKeyXSBPIFNCGNRRFS-UHFFFAOYSA-N
XLogP2.89
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 110000783
N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119570935
5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 119507911
N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119498092
5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 39866064
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(4-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
CID 17252724
N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide
CID 71090833
N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807161
N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17022037
N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807159

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide (CID 75448483) is 5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide is CC(C)(CCO)NC(=O)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is XSBPIFNCGNRRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-15(2,7-8-19)17-14(20)12-9-13(21-18-12)10-3-5-11(16)6-4-10/h3-6,9,19H,7-8H2,1-2H3,(H,17,20).
What are the key properties of 5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 308.76 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75448483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).