2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide

C20H23N5O2 — CID 168858472

IUPAC2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide
SMILESCCCN(C(=O)c1coc(-c2cnn(-c3ccccc3)c2)n1)C1CCNC1
InChIInChI=1S/C20H23N5O2/c1-2-10-24(17-8-9-21-12-17)20(26)18-14-27-19(23-18)15-11-22-25(13-15)16-6-4-3-5-7-16/h3-7,11,13-14,17,21H,2,8-10,12H2,1H3
InChIKeyVFYNGLCAJPSPKB-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.74
Rot. Bonds6

About 2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide

2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide (PubChem CID 168858472) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide
PubChem CID168858472
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide
SMILESCCCN(C(=O)c1coc(-c2cnn(-c3ccccc3)c2)n1)C1CCNC1
InChIInChI=1S/C20H23N5O2/c1-2-10-24(17-8-9-21-12-17)20(26)18-14-27-19(23-18)15-11-22-25(13-15)16-6-4-3-5-7-16/h3-7,11,13-14,17,21H,2,8-10,12H2,1H3
InChIKeyVFYNGLCAJPSPKB-UHFFFAOYSA-N
XLogP2.74
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530213
1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119532202
4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119529856
2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119825765
N-propyl-N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 103806535
1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119530408
1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119531389
1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide
CID 119825391
1-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide
CID 119532334
2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
CID 119531604
1-benzyl-6-oxo-N-propyl-N-pyrrolidin-3-ylpyridazine-3-carboxamide
CID 119532868
N-methyl-1-phenyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 43602271

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide (CID 168858472) is 2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide is CCCN(C(=O)c1coc(-c2cnn(-c3ccccc3)c2)n1)C1CCNC1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide?
The InChIKey is VFYNGLCAJPSPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-2-10-24(17-8-9-21-12-17)20(26)18-14-27-19(23-18)15-11-22-25(13-15)16-6-4-3-5-7-16/h3-7,11,13-14,17,21H,2,8-10,12H2,1H3.
What are the key properties of 2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide?
2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 168858472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).