(4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone

C21H28N4O2 — CID 24791785

IUPAC(4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C2CCCN(C(=O)c3ocnc3C)C2)CC1
InChIInChI=1S/C21H28N4O2/c1-16-6-3-4-8-19(16)24-12-10-23(11-13-24)18-7-5-9-25(14-18)21(26)20-17(2)22-15-27-20/h3-4,6,8,15,18H,5,7,9-14H2,1-2H3
InChIKeyBVKPCPWJACJOKU-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.72
Rot. Bonds3

About (4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone

(4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 24791785) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID24791785
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C2CCCN(C(=O)c3ocnc3C)C2)CC1
InChIInChI=1S/C21H28N4O2/c1-16-6-3-4-8-19(16)24-12-10-23(11-13-24)18-7-5-9-25(14-18)21(26)20-17(2)22-15-27-20/h3-4,6,8,15,18H,5,7,9-14H2,1-2H3
InChIKeyBVKPCPWJACJOKU-UHFFFAOYSA-N
XLogP2.72
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-([1,1'-biphenyl]-2-yl)-4-methyloxazole-5-carboxamide
CID 3236618
N-(2-fluorobenzyl)-3-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]piperidin-3-yl}propanamide
CID 16191096
N-(3'-methyl-3-biphenylyl)-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinecarboxamide
CID 24817772
4-Ethyl-5,6-difluoro-1-(4-methyl-1,3-oxazole-5-carbonyl)-4-phenyl-3-(2,2,2-trifluoroethyl)quinazolin-2-one
CID 49864771
N-[2-(aminocarbonyl)phenyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 3242953
4-methyl-N-(2-methylphenyl)-1,3-oxazole-5-carboxamide
CID 5307543
2-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-1-(6-methyl-2-pyridinyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16192325
N-(4'-fluoro-3-biphenylyl)-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinecarboxamide
CID 24790772
1-{1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 24817537
1-(2-Fluorophenyl)-4-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinyl}piperazine
CID 24817652
(4-Methyl-1,3-oxazol-5-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56658803
4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide
CID 56676116

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 24791785) is (4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone is Cc1ccccc1N1CCN(C2CCCN(C(=O)c3ocnc3C)C2)CC1.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is BVKPCPWJACJOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16-6-3-4-8-19(16)24-12-10-23(11-13-24)18-7-5-9-25(14-18)21(26)20-17(2)22-15-27-20/h3-4,6,8,15,18H,5,7,9-14H2,1-2H3.
What are the key properties of (4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
(4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 368.48 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-oxazol-5-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24791785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).