5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole

C15H17ClN2O — CID 97357376

IUPAC5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole
SMILESClc1ccc(Cc2cnc([C@H]3CCCNC3)o2)cc1
InChIInChI=1S/C15H17ClN2O/c16-13-5-3-11(4-6-13)8-14-10-18-15(19-14)12-2-1-7-17-9-12/h3-6,10,12,17H,1-2,7-9H2/t12-/m0/s1
InChIKeyBPJBVYGPJGTISX-LBPRGKRZSA-N
MW276.77 g/mol
LogP3.39
Rot. Bonds3

About 5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole

5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole (PubChem CID 97357376) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole
PubChem CID97357376
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole
SMILESClc1ccc(Cc2cnc([C@H]3CCCNC3)o2)cc1
InChIInChI=1S/C15H17ClN2O/c16-13-5-3-11(4-6-13)8-14-10-18-15(19-14)12-2-1-7-17-9-12/h3-6,10,12,17H,1-2,7-9H2/t12-/m0/s1
InChIKeyBPJBVYGPJGTISX-LBPRGKRZSA-N
XLogP3.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
CID 110456525
2-piperidin-3-yl-1,3-oxazole-5-carbaldehyde
CID 115085525
1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone
CID 125006336
[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110119365
1-[2-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 125017105
2-(2-pyrrolidin-3-yl-1,3-oxazol-5-yl)acetaldehyde
CID 115084955
5-chloro-2-piperidin-3-yl-1,3-benzoxazole
CID 43114866
[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110119528
1-[2-[(3R)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124973618
[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-ethyl-4-methyl-1H-pyrazol-3-yl)methanone
CID 110119583
[(3S)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124990496
5-cyclohexyl-2-pyrrolidin-3-yl-1,3-oxazole
CID 84685995

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole (CID 97357376) is 5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole is Clc1ccc(Cc2cnc([C@H]3CCCNC3)o2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole?
The InChIKey is BPJBVYGPJGTISX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-13-5-3-11(4-6-13)8-14-10-18-15(19-14)12-2-1-7-17-9-12/h3-6,10,12,17H,1-2,7-9H2/t12-/m0/s1.
What are the key properties of 5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole?
5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole has a molecular weight of 276.77 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2-[(3S)-piperidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 97357376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).