5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide

C19H21N5O2 — CID 126768791

IUPAC5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cnn(Cc2cc(C(=O)Nc3ccccc3N3CCCC3)no2)c1
InChIInChI=1S/C19H21N5O2/c1-14-11-20-24(12-14)13-15-10-17(22-26-15)19(25)21-16-6-2-3-7-18(16)23-8-4-5-9-23/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3,(H,21,25)
InChIKeyCCJGADHCEUJJBG-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.08
Rot. Bonds5

About 5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide

5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 126768791) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID126768791
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cnn(Cc2cc(C(=O)Nc3ccccc3N3CCCC3)no2)c1
InChIInChI=1S/C19H21N5O2/c1-14-11-20-24(12-14)13-15-10-17(22-26-15)19(25)21-16-6-2-3-7-18(16)23-8-4-5-9-23/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3,(H,21,25)
InChIKeyCCJGADHCEUJJBG-UHFFFAOYSA-N
XLogP3.08
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63579229
4-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524527
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
5-[(2-pyrrolidin-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684789
N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950976
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyrrolidin-1-ylphenyl)oxamide
CID 51080556
N-[2-(azepan-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 18287671
N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46341535
N-(2-ethylphenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950884
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261816
5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39112162

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide (CID 126768791) is 5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide is Cc1cnn(Cc2cc(C(=O)Nc3ccccc3N3CCCC3)no2)c1.
What is the InChIKey of 5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CCJGADHCEUJJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14-11-20-24(12-14)13-15-10-17(22-26-15)19(25)21-16-6-2-3-7-18(16)23-8-4-5-9-23/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3,(H,21,25).
What are the key properties of 5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126768791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).