(2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide

C20H27N3O2 — CID 98042028

IUPAC(2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide
SMILESCc1noc(C)c1CN1CCC(NC(=O)[C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O2/c1-14(17-7-5-4-6-8-17)20(24)21-18-9-11-23(12-10-18)13-19-15(2)22-25-16(19)3/h4-8,14,18H,9-13H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyXKDRXCFGFCFYNC-AWEZNQCLSA-N
MW341.45 g/mol
LogP3.18
Rot. Bonds5

About (2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide

(2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide (PubChem CID 98042028) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide
PubChem CID98042028
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide
SMILESCc1noc(C)c1CN1CCC(NC(=O)[C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O2/c1-14(17-7-5-4-6-8-17)20(24)21-18-9-11-23(12-10-18)13-19-15(2)22-25-16(19)3/h4-8,14,18H,9-13H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyXKDRXCFGFCFYNC-AWEZNQCLSA-N
XLogP3.18
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 75461556
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 75527495
(2R)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 98042032
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 75527487
(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95161589
5-cyclopropyl-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 171146250
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55859103
N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 98042037
N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
CID 99740337
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 47039591
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 37362654
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9268823

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide (CID 98042028) is (2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide is Cc1noc(C)c1CN1CCC(NC(=O)[C@@H](C)c2ccccc2)CC1.
What is the InChIKey of (2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide?
The InChIKey is XKDRXCFGFCFYNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(17-7-5-4-6-8-17)20(24)21-18-9-11-23(12-10-18)13-19-15(2)22-25-16(19)3/h4-8,14,18H,9-13H2,1-3H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide?
(2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide has a molecular weight of 341.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylpropanamide is sourced from PubChem (CID 98042028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).