N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide

C19H24N2O4 — CID 90325844

IUPACN-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(CCCCOc2ccccc2)on1
InChIInChI=1S/C19H24N2O4/c22-19(20-13-15-9-11-23-14-15)18-12-17(25-21-18)8-4-5-10-24-16-6-2-1-3-7-16/h1-3,6-7,12,15H,4-5,8-11,13-14H2,(H,20,22)
InChIKeyVYGJZAFRBXLPGW-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.84
Rot. Bonds9

About N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide

N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide (PubChem CID 90325844) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide
PubChem CID90325844
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1cc(CCCCOc2ccccc2)on1
InChIInChI=1S/C19H24N2O4/c22-19(20-13-15-9-11-23-14-15)18-12-17(25-21-18)8-4-5-10-24-16-6-2-1-3-7-16/h1-3,6-7,12,15H,4-5,8-11,13-14H2,(H,20,22)
InChIKeyVYGJZAFRBXLPGW-UHFFFAOYSA-N
XLogP2.84
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.84
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-(oxolan-3-yl)-1-[5-(6-phenoxyhexyl)-1,2-oxazol-3-yl]propan-1-one
CID 159638649
5-[3-(4-chlorophenyl)propyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325749
5-(benzylsulfanylmethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90326219
5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325779
N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326078
N-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 118698708
5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536681
N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide
CID 90326189
5-[(3,4-dichlorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536638
5-[(2,3-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325977
5-[(3,4-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325875
N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 118536804

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide (CID 90325844) is N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)c1cc(CCCCOc2ccccc2)on1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VYGJZAFRBXLPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-19(20-13-15-9-11-23-14-15)18-12-17(25-21-18)8-4-5-10-24-16-6-2-1-3-7-16/h1-3,6-7,12,15H,4-5,8-11,13-14H2,(H,20,22).
What are the key properties of N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide?
N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90325844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).