N-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide

C14H16N2O3 — CID 44602318

IUPACN-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCCO)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H16N2O3/c17-9-5-4-8-15-14(18)12-10-13(19-16-12)11-6-2-1-3-7-11/h1-3,6-7,10,17H,4-5,8-9H2,(H,15,18)
InChIKeyCZFQGFWDWGRJMB-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.84
Rot. Bonds6

About N-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 44602318) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID44602318
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCCO)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H16N2O3/c17-9-5-4-8-15-14(18)12-10-13(19-16-12)11-6-2-1-3-7-11/h1-3,6-7,10,17H,4-5,8-9H2,(H,15,18)
InChIKeyCZFQGFWDWGRJMB-UHFFFAOYSA-N
XLogP1.84
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bml-281
CID 24951314
N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
N-[3-(3-Phenylisoxazol-5-Yl)propanoyl]-L-Alpha-Glutamyl-L-Alpha-Glutamyl-Amide
CID 46861565
5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
Tert-butyl 3-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenylcarbamate
CID 24951312
N-[(1R,3S)-3-hydroxycyclohexyl]-4-[(2-methylpropylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 52918271
N-[(1R,3S)-3-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-4-[[[(2S)-1,1,1-trifluoropropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 54586192
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557322
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093785
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 44602318) is N-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCCCCO)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is CZFQGFWDWGRJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-9-5-4-8-15-14(18)12-10-13(19-16-12)11-6-2-1-3-7-11/h1-3,6-7,10,17H,4-5,8-9H2,(H,15,18).
What are the key properties of N-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44602318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).