3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide

C28H35N3O3 — CID 11568840

IUPAC3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)C1(C)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1
InChIInChI=1S/C28H35N3O3/c1-4-30(5-2)27(33)28(3)20-25(29-34-28)23-11-13-24(14-12-23)26(32)31-17-15-22(16-18-31)19-21-9-7-6-8-10-21/h6-14,22H,4-5,15-20H2,1-3H3
InChIKeyBFEPGQOJVCDRJB-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.53
Rot. Bonds7

About 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide

3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 11568840) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID11568840
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)C1(C)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1
InChIInChI=1S/C28H35N3O3/c1-4-30(5-2)27(33)28(3)20-25(29-34-28)23-11-13-24(14-12-23)26(32)31-17-15-22(16-18-31)19-21-9-7-6-8-10-21/h6-14,22H,4-5,15-20H2,1-3H3
InChIKeyBFEPGQOJVCDRJB-UHFFFAOYSA-N
XLogP4.53
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Biphenyl-4,4'-diylbis((3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone) (6f)
CID 118796579
Phenyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone
CID 134788212
(4-Methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134791614
[4-(Trifluoromethyl)phenyl]-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134793533
(2-Methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134800960
(2-Fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134803947
2-fluoro-N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 24715344
N-ethyl-2-fluoro-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 46137884
Phenyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone
CID 134789261
(4-Methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone
CID 134789664
(3-Phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 134790611
[4-(Trifluoromethyl)phenyl]-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone
CID 134790899

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 11568840) is 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide is CCN(CC)C(=O)C1(C)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1.
What is the InChIKey of 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is BFEPGQOJVCDRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-4-30(5-2)27(33)28(3)20-25(29-34-28)23-11-13-24(14-12-23)26(32)31-17-15-22(16-18-31)19-21-9-7-6-8-10-21/h6-14,22H,4-5,15-20H2,1-3H3.
What are the key properties of 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 11568840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).