4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide

C21H23N5O3 — CID 71288522

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C21H23N5O3/c1-14-17(24-20(29-14)15-7-4-3-5-8-15)9-10-22-19(27)18-16(13-23-25(18)2)21(28)26-11-6-12-26/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,22,27)
InChIKeyCCZICQQYATXFAI-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.20
Rot. Bonds6

About 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 71288522) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide
PubChem CID71288522
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C21H23N5O3/c1-14-17(24-20(29-14)15-7-4-3-5-8-15)9-10-22-19(27)18-16(13-23-25(18)2)21(28)26-11-6-12-26/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,22,27)
InChIKeyCCZICQQYATXFAI-UHFFFAOYSA-N
XLogP2.20
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(2-phenyl-5-pyridin-3-yl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 71288692
4-(azetidine-1-carbonyl)-N-[2-(2,5-diphenyl-1,3-oxazol-4-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 71288599
N-ethyl-N-{[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(1H-pyrazol-1-yl)ethanamine
CID 16187226
1-{[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 16191113
N-{[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 16192416
N-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 26393391
2-Methyl-4-(pyrrolidine-1-carbonyl)-2H-pyrazole-3-carboxylic acid [2-(5-methyl-2-phenyl-oxazol-4-yl)-ethyl]-amide
CID 71288496
4-N-cyclopropyl-4-N,1-dimethyl-5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288536
2-Methyl-4-(thiomorpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid [2-(5-methyl-2-phenyl-oxazol-4-yl)-ethyl]-amide
CID 71288544
4-(3-Fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(5-methyl-2-phenyl-oxazol-4-yl)-ethyl]-amide
CID 71288592
2-Methyl-4-(2-oxa-6-aza-spiro[3.3]heptane-6-carbonyl)-2H-pyrazole-3-carboxylic acid [2-(5-methyl-2-phenyl-oxazol-4-yl)-ethyl]amide
CID 71288600
4-(azetidine-1-carbonyl)-1-methyl-N-[2-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-2-yl]pyrazole-5-carboxamide
CID 71288654

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide (CID 71288522) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide is Cc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is CCZICQQYATXFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-14-17(24-20(29-14)15-7-4-3-5-8-15)9-10-22-19(27)18-16(13-23-25(18)2)21(28)26-11-6-12-26/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,22,27).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71288522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).