[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone

C20H24N4O2 — CID 95228912

IUPAC[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCC1=NO[C@H](C(=O)N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)C1
InChIInChI=1S/C20H24N4O2/c1-14-11-19(26-23-14)20(25)24-9-7-16(8-10-24)18-13-17(21-22-18)12-15-5-3-2-4-6-15/h2-6,13,16,19H,7-12H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyDGBHQBHLSHWCAV-IBGZPJMESA-N
MW352.44 g/mol
LogP2.87
Rot. Bonds4

About [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone

[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 95228912) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID95228912
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCC1=NO[C@H](C(=O)N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)C1
InChIInChI=1S/C20H24N4O2/c1-14-11-19(26-23-14)20(25)24-9-7-16(8-10-24)18-13-17(21-22-18)12-15-5-3-2-4-6-15/h2-6,13,16,19H,7-12H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyDGBHQBHLSHWCAV-IBGZPJMESA-N
XLogP2.87
TPSA70.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 56705721
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 56716769
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone
CID 95206961
(6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione
CID 56705943
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 155501278
3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one
CID 56712711
1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 56717699
[4-(2-methoxyphenyl)piperidin-1-yl]-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 124843037
1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118795553
6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 56714296
3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one
CID 171912404
[4-(3,5-difluoro-4-pyridinyl)piperazin-1-yl]-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanone
CID 167773102

Frequently Asked Questions

What is the IUPAC name of [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 95228912) is [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone is CC1=NO[C@H](C(=O)N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)C1.
What is the InChIKey of [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is DGBHQBHLSHWCAV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-11-19(26-23-14)20(25)24-9-7-16(8-10-24)18-13-17(21-22-18)12-15-5-3-2-4-6-15/h2-6,13,16,19H,7-12H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone?
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 352.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 95228912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).