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

C20H29N3O3 — CID 45173713

IUPACN-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCC(COC)NC(=O)CCc1nnc(CCCCc2ccccc2)o1
InChIInChI=1S/C20H29N3O3/c1-3-17(15-25-2)21-18(24)13-14-20-23-22-19(26-20)12-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,17H,3,7-8,11-15H2,1-2H3,(H,21,24)
InChIKeyUXJWBYDAVGGZLC-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.11
Rot. Bonds12

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

N-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 45173713) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID45173713
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCC(COC)NC(=O)CCc1nnc(CCCCc2ccccc2)o1
InChIInChI=1S/C20H29N3O3/c1-3-17(15-25-2)21-18(24)13-14-20-23-22-19(26-20)12-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,17H,3,7-8,11-15H2,1-2H3,(H,21,24)
InChIKeyUXJWBYDAVGGZLC-UHFFFAOYSA-N
XLogP3.11
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.11
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

N-[(2S)-1-methoxybutan-2-yl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42190261
N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42384402
N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 45182727
N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42510383
N-(1-chlorobutan-2-yl)-4-phenylbutanamide
CID 114294201
4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912310
N-[(2S)-1-[4-(hydroxycarbamothioyl)phenoxy]butan-2-yl]-3-phenylpropanamide
CID 87641495
4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid
CID 120703097
N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide
CID 56593002
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42414995

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 45173713) is N-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide is CCC(COC)NC(=O)CCc1nnc(CCCCc2ccccc2)o1.
What is the InChIKey of N-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is UXJWBYDAVGGZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-17(15-25-2)21-18(24)13-14-20-23-22-19(26-20)12-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,17H,3,7-8,11-15H2,1-2H3,(H,21,24).
What are the key properties of N-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 359.47 g/mol, XLogP of 3.11, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 45173713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).