N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide

C19H28N2O3 — CID 130275036

IUPACN-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)C1=NOC(CCCCCOc2ccccc2)C1
InChIInChI=1S/C19H28N2O3/c1-15(2)14-20-19(22)18-13-17(24-21-18)11-7-4-8-12-23-16-9-5-3-6-10-16/h3,5-6,9-10,15,17H,4,7-8,11-14H2,1-2H3,(H,20,22)
InChIKeyLAHIDNPWIZTYMF-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.54
Rot. Bonds10

About N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide

N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 130275036) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID130275036
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)C1=NOC(CCCCCOc2ccccc2)C1
InChIInChI=1S/C19H28N2O3/c1-15(2)14-20-19(22)18-13-17(24-21-18)11-7-4-8-12-23-16-9-5-3-6-10-16/h3,5-6,9-10,15,17H,4,7-8,11-14H2,1-2H3,(H,20,22)
InChIKeyLAHIDNPWIZTYMF-UHFFFAOYSA-N
XLogP3.54
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.54
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

1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone
CID 130287442
N-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201885
N-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201904
N-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201887
N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
CID 55863429
4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 2265354
2-(3-phenoxypropyl)oxirane
CID 23468414
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
2-phenoxypropanoic acid;11-phenoxyundecanoic acid
CID 67508257
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
7-[(3R,4S)-4-(2-phenoxyethyl)oxolan-3-yl]heptanoic acid
CID 70399750
(5S)-3-methyl-5-[2-(4-phenylphenoxy)ethyl]-4,5-dihydro-1,2-oxazole
CID 143838763

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 130275036) is N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is CC(C)CNC(=O)C1=NOC(CCCCCOc2ccccc2)C1.
What is the InChIKey of N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is LAHIDNPWIZTYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15(2)14-20-19(22)18-13-17(24-21-18)11-7-4-8-12-23-16-9-5-3-6-10-16/h3,5-6,9-10,15,17H,4,7-8,11-14H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130275036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).