N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide

C16H20N2O3 — CID 110681047

IUPACN-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(C)(C)C)c(=O)on1C
InChIInChI=1S/C16H20N2O3/c1-10-13(15(20)21-18(10)5)14(19)17-12-9-7-6-8-11(12)16(2,3)4/h6-9H,1-5H3,(H,17,19)
InChIKeyCJDACXRXTNTBDB-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.84
Rot. Bonds2

About N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide

N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide (PubChem CID 110681047) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
PubChem CID110681047
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(C)(C)C)c(=O)on1C
InChIInChI=1S/C16H20N2O3/c1-10-13(15(20)21-18(10)5)14(19)17-12-9-7-6-8-11(12)16(2,3)4/h6-9H,1-5H3,(H,17,19)
InChIKeyCJDACXRXTNTBDB-UHFFFAOYSA-N
XLogP2.84
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110858370
2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide
CID 110681046
N-(4-cyanophenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110681138
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide
CID 844627
3-N,5-N-bis(2-tert-butylphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097819
3-(2-tert-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821778
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide
CID 26515720
4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide
CID 78906422
N-(2-chloro-4,6-dimethylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
CID 110681059
2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide
CID 62056774

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide (CID 110681047) is N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2C(C)(C)C)c(=O)on1C.
What is the InChIKey of N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
The InChIKey is CJDACXRXTNTBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-13(15(20)21-18(10)5)14(19)17-12-9-7-6-8-11(12)16(2,3)4/h6-9H,1-5H3,(H,17,19).
What are the key properties of N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110681047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).