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

C20H28N2O4 — CID 129201904

IUPACN-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)C1=NOC(CCCCOCc2ccccc2)C1
InChIInChI=1S/C20H28N2O4/c23-20(21-13-17-9-11-25-15-17)19-12-18(26-22-19)8-4-5-10-24-14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,21,23)
InChIKeyUBNZCJXBHBZXSL-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.67
Rot. Bonds10

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

N-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 129201904) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID129201904
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)C1=NOC(CCCCOCc2ccccc2)C1
InChIInChI=1S/C20H28N2O4/c23-20(21-13-17-9-11-25-15-17)19-12-18(26-22-19)8-4-5-10-24-14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,21,23)
InChIKeyUBNZCJXBHBZXSL-UHFFFAOYSA-N
XLogP2.67
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 129201904) is N-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)C1=NOC(CCCCOCc2ccccc2)C1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is UBNZCJXBHBZXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c23-20(21-13-17-9-11-25-15-17)19-12-18(26-22-19)8-4-5-10-24-14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,21,23).
What are the key properties of N-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 2.67, 10 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-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 129201904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).