N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide

C24H25N3O4 — CID 58727334

IUPACN-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)C2CCOCC2)cc1
InChIInChI=1S/C24H25N3O4/c1-17-2-8-21(9-3-17)27(24(29)19-10-12-30-13-11-19)14-23(28)26-20-6-4-18(5-7-20)22-15-31-16-25-22/h2-9,15-16,19H,10-14H2,1H3,(H,26,28)
InChIKeyKPSAHMPPZKKPJB-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.05
Rot. Bonds6

About N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide

N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide (PubChem CID 58727334) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide
PubChem CID58727334
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)C2CCOCC2)cc1
InChIInChI=1S/C24H25N3O4/c1-17-2-8-21(9-3-17)27(24(29)19-10-12-30-13-11-19)14-23(28)26-20-6-4-18(5-7-20)22-15-31-16-25-22/h2-9,15-16,19H,10-14H2,1H3,(H,26,28)
InChIKeyKPSAHMPPZKKPJB-UHFFFAOYSA-N
XLogP4.05
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]cyclohexane-1-carboxamide
CID 58727335
N-(3,5-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,1-dioxothiane-4-carboxamide
CID 11663016
N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiomorpholine-4-carboxamide
CID 58727323
N-(2-fluoro-4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]thiane-4-carboxamide
CID 90947373
N-(2,6-dimethylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]-1,3-thiazinane-4-carboxamide
CID 58727343
N-(3,5-dimethylphenyl)-N-[2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxoethyl]thiane-4-carboxamide
CID 146419243
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(3,5-dimethylphenyl)-1,1-dioxothiane-4-carboxamide
CID 10076210
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
N-[2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxoethyl]-1,1-dioxo-N-(2,4,6-trimethylphenyl)thiane-4-carboxamide
CID 11540540
N-[2-[4-(diethylamino)anilino]-2-oxoethyl]oxane-4-carboxamide
CID 113000138
N-(4-methylphenyl)-2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetamide
CID 30258077

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide (CID 58727334) is N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide is Cc1ccc(N(CC(=O)Nc2ccc(-c3cocn3)cc2)C(=O)C2CCOCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide?
The InChIKey is KPSAHMPPZKKPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-17-2-8-21(9-3-17)27(24(29)19-10-12-30-13-11-19)14-23(28)26-20-6-4-18(5-7-20)22-15-31-16-25-22/h2-9,15-16,19H,10-14H2,1H3,(H,26,28).
What are the key properties of N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide?
N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[2-[4-(1,3-oxazol-4-yl)anilino]-2-oxoethyl]oxane-4-carboxamide is sourced from PubChem (CID 58727334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).