3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one

C16H21ClN4O2 — CID 124978226

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1cn[nH]c1C[C@@H]1CCCN(C(=O)CCc2cc(Cl)no2)C1
InChIInChI=1S/C16H21ClN4O2/c1-11-9-18-19-14(11)7-12-3-2-6-21(10-12)16(22)5-4-13-8-15(17)20-23-13/h8-9,12H,2-7,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyLSHXLYWUIQCPPP-LBPRGKRZSA-N
MW336.82 g/mol
LogP2.77
Rot. Bonds5

About 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one

3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 124978226) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID124978226
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1cn[nH]c1C[C@@H]1CCCN(C(=O)CCc2cc(Cl)no2)C1
InChIInChI=1S/C16H21ClN4O2/c1-11-9-18-19-14(11)7-12-3-2-6-21(10-12)16(22)5-4-13-8-15(17)20-23-13/h8-9,12H,2-7,10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyLSHXLYWUIQCPPP-LBPRGKRZSA-N
XLogP2.77
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124947366
1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 124981522
2-cyclopropyl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 125011292
1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124995402
3-(3-chloro-1,2-oxazol-5-yl)-1-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]propan-1-one
CID 91911878
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124986328
3-(1H-indol-3-yl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 155983538
2-(4-fluorophenyl)-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 110106592
4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one
CID 110106597
1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110106586
3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 125020977
1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 125015096

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one (CID 124978226) is 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one is Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)CCc2cc(Cl)no2)C1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is LSHXLYWUIQCPPP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-11-9-18-19-14(11)7-12-3-2-6-21(10-12)16(22)5-4-13-8-15(17)20-23-13/h8-9,12H,2-7,10H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one?
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 336.82 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124978226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).