3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide

C27H33N3O2 — CID 35418573

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCN(CCCNC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1
InChIInChI=1S/C27H33N3O2/c1-21-15-19-30(20-16-21)18-8-17-28-24(31)13-14-25-29-26(22-9-4-2-5-10-22)27(32-25)23-11-6-3-7-12-23/h2-7,9-12,21H,8,13-20H2,1H3,(H,28,31)
InChIKeyCMBJSYIBFLHKJB-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.18
Rot. Bonds9

About 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 35418573) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
PubChem CID35418573
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCC1CCN(CCCNC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1
InChIInChI=1S/C27H33N3O2/c1-21-15-19-30(20-16-21)18-8-17-28-24(31)13-14-25-29-26(22-9-4-2-5-10-22)27(32-25)23-11-6-3-7-12-23/h2-7,9-12,21H,8,13-20H2,1H3,(H,28,31)
InChIKeyCMBJSYIBFLHKJB-UHFFFAOYSA-N
XLogP5.18
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 30534634
N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 47888987
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 35418539
3-(2-aminophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 120612122
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446392
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 46493556
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoylamino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 53378337
N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55717679
N-[2-(3-chlorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 46698863
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60516330
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 24595469

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide (CID 35418573) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide is CC1CCN(CCCNC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is CMBJSYIBFLHKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-21-15-19-30(20-16-21)18-8-17-28-24(31)13-14-25-29-26(22-9-4-2-5-10-22)27(32-25)23-11-6-3-7-12-23/h2-7,9-12,21H,8,13-20H2,1H3,(H,28,31).
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 431.58 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 35418573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).