N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide

C19H21N5O2 — CID 166224779

IUPACN-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
SMILESCc1coc(-c2ccc(C)c(NC(=O)c3cc(C4CCNC4)[nH]n3)c2)n1
InChIInChI=1S/C19H21N5O2/c1-11-3-4-13(19-21-12(2)10-26-19)7-15(11)22-18(25)17-8-16(23-24-17)14-5-6-20-9-14/h3-4,7-8,10,14,20H,5-6,9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPAFFRJJWCZWNHV-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.01
Rot. Bonds4

About N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide

N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide (PubChem CID 166224779) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
PubChem CID166224779
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
SMILESCc1coc(-c2ccc(C)c(NC(=O)c3cc(C4CCNC4)[nH]n3)c2)n1
InChIInChI=1S/C19H21N5O2/c1-11-3-4-13(19-21-12(2)10-26-19)7-15(11)22-18(25)17-8-16(23-24-17)14-5-6-20-9-14/h3-4,7-8,10,14,20H,5-6,9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPAFFRJJWCZWNHV-UHFFFAOYSA-N
XLogP3.01
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 166219078
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CID 166219072
N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940404
4-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)anilino]cyclohexane-1-carboxylic acid
CID 122029926
3-amino-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]propanamide;hydrochloride
CID 119342913
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CID 112707582
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120603285
2-(2-methoxyethylamino)-N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]acetamide;hydrochloride
CID 119817439
5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 166323565
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119818830
2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552788
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 40654834

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide (CID 166224779) is N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide is Cc1coc(-c2ccc(C)c(NC(=O)c3cc(C4CCNC4)[nH]n3)c2)n1.
What is the InChIKey of N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide?
The InChIKey is PAFFRJJWCZWNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11-3-4-13(19-21-12(2)10-26-19)7-15(11)22-18(25)17-8-16(23-24-17)14-5-6-20-9-14/h3-4,7-8,10,14,20H,5-6,9H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide?
N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(4-methyl-1,3-oxazol-2-yl)phenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166224779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).