N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide

C18H19N5O2 — CID 124588979

IUPACN-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccon1
InChIInChI=1S/C18H19N5O2/c24-18(16-8-11-25-21-16)20-17-6-9-19-23(17)15-7-10-22(13-15)12-14-4-2-1-3-5-14/h1-6,8-9,11,15H,7,10,12-13H2,(H,20,24)/t15-/m0/s1
InChIKeyVVQLPOKSFLWYEG-HNNXBMFYSA-N
MW337.38 g/mol
LogP2.57
Rot. Bonds5

About N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide

N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 124588979) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID124588979
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccon1
InChIInChI=1S/C18H19N5O2/c24-18(16-8-11-25-21-16)20-17-6-9-19-23(17)15-7-10-22(13-15)12-14-4-2-1-3-5-14/h1-6,8-9,11,15H,7,10,12-13H2,(H,20,24)/t15-/m0/s1
InChIKeyVVQLPOKSFLWYEG-HNNXBMFYSA-N
XLogP2.57
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
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N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
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N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
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(3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
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2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42244340
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-phenoxypropanamide
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N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
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2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24793136
2-methyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24790620
N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56746743
N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 25292419
N-[2-[1-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (CID 124588979) is N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is O=C(Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)c1ccon1.
What is the InChIKey of N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is VVQLPOKSFLWYEG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-18(16-8-11-25-21-16)20-17-6-9-19-23(17)15-7-10-22(13-15)12-14-4-2-1-3-5-14/h1-6,8-9,11,15H,7,10,12-13H2,(H,20,24)/t15-/m0/s1.
What are the key properties of N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124588979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).