N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

C22H31N3O3 — CID 42414995

IUPACN-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(CCCCc2ccccc2)o1)NCC[C@@H]1CCCCO1
InChIInChI=1S/C22H31N3O3/c26-20(23-16-15-19-11-6-7-17-27-19)13-14-22-25-24-21(28-22)12-5-4-10-18-8-2-1-3-9-18/h1-3,8-9,19H,4-7,10-17H2,(H,23,26)/t19-/m0/s1
InChIKeyWUQUWHFQGKUGTO-IBGZPJMESA-N
MW385.51 g/mol
LogP3.64
Rot. Bonds11

About N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 42414995) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID42414995
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(CCCCc2ccccc2)o1)NCC[C@@H]1CCCCO1
InChIInChI=1S/C22H31N3O3/c26-20(23-16-15-19-11-6-7-17-27-19)13-14-22-25-24-21(28-22)12-5-4-10-18-8-2-1-3-9-18/h1-3,8-9,19H,4-7,10-17H2,(H,23,26)/t19-/m0/s1
InChIKeyWUQUWHFQGKUGTO-IBGZPJMESA-N
XLogP3.64
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[2-[(2S)-oxan-2-yl]ethyl]propanamide
CID 42392793
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 61126143
N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42393532
N-[2-(oxolan-2-yl)ethyl]-3-phenoxypropanamide
CID 75871156
(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 104984102
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113117320
N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335177
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628
2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109252554
3-phenylpropyl 3-(oxolan-2-yl)propanoate
CID 78859306
6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
CID 109096175

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 42414995) is N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCc1nnc(CCCCc2ccccc2)o1)NCC[C@@H]1CCCCO1.
What is the InChIKey of N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is WUQUWHFQGKUGTO-IBGZPJMESA-N. The full InChI is InChI=1S/C22H31N3O3/c26-20(23-16-15-19-11-6-7-17-27-19)13-14-22-25-24-21(28-22)12-5-4-10-18-8-2-1-3-9-18/h1-3,8-9,19H,4-7,10-17H2,(H,23,26)/t19-/m0/s1.
What are the key properties of N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 385.51 g/mol, XLogP of 3.64, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 42414995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).