3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide

C24H35N3O2 — CID 24792016

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)NC1CCCN(Cc2ccc(CC(C)C)cc2)C1
InChIInChI=1S/C24H35N3O2/c1-17(2)14-20-7-9-21(10-8-20)15-27-13-5-6-22(16-27)25-24(28)12-11-23-18(3)26-29-19(23)4/h7-10,17,22H,5-6,11-16H2,1-4H3,(H,25,28)
InChIKeyFYBGMJFBMMPNGE-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.20
Rot. Bonds8

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide (PubChem CID 24792016) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide
PubChem CID24792016
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)NC1CCCN(Cc2ccc(CC(C)C)cc2)C1
InChIInChI=1S/C24H35N3O2/c1-17(2)14-20-7-9-21(10-8-20)15-27-13-5-6-22(16-27)25-24(28)12-11-23-18(3)26-29-19(23)4/h7-10,17,22H,5-6,11-16H2,1-4H3,(H,25,28)
InChIKeyFYBGMJFBMMPNGE-UHFFFAOYSA-N
XLogP4.20
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide (CID 24792016) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide is Cc1noc(C)c1CCC(=O)NC1CCCN(Cc2ccc(CC(C)C)cc2)C1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide?
The InChIKey is FYBGMJFBMMPNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-17(2)14-20-7-9-21(10-8-20)15-27-13-5-6-22(16-27)25-24(28)12-11-23-18(3)26-29-19(23)4/h7-10,17,22H,5-6,11-16H2,1-4H3,(H,25,28).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide has a molecular weight of 397.56 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 24792016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).