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

C22H25N5O3 — CID 71288496

IUPAC1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCCC2)cnn1C
InChIInChI=1S/C22H25N5O3/c1-15-18(25-21(30-15)16-8-4-3-5-9-16)10-11-23-20(28)19-17(14-24-26(19)2)22(29)27-12-6-7-13-27/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,23,28)
InChIKeyNEDDRSLFIPXQDR-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.59
Rot. Bonds6

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

1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide (PubChem CID 71288496) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide
PubChem CID71288496
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCCC2)cnn1C
InChIInChI=1S/C22H25N5O3/c1-15-18(25-21(30-15)16-8-4-3-5-9-16)10-11-23-20(28)19-17(14-24-26(19)2)22(29)27-12-6-7-13-27/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,23,28)
InChIKeyNEDDRSLFIPXQDR-UHFFFAOYSA-N
XLogP2.59
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.59
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
N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-(1,3-oxazol-2-ylmethylcarbamoyl)pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76314527
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 71288522
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide (CID 71288496) is 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide is Cc1oc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCCC2)cnn1C.
What is the InChIKey of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide?
The InChIKey is NEDDRSLFIPXQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-15-18(25-21(30-15)16-8-4-3-5-9-16)10-11-23-20(28)19-17(14-24-26(19)2)22(29)27-12-6-7-13-27/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,23,28).
What are the key properties of 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide?
1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 71288496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).