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

C18H24N2O4 — CID 129201887

IUPACN-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)C1=NOC(CCOCc2ccccc2)C1
InChIInChI=1S/C18H24N2O4/c21-18(19-11-15-6-8-22-13-15)17-10-16(24-20-17)7-9-23-12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,19,21)
InChIKeyBAHZVSPHOSFDQZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.89
Rot. Bonds8

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

N-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 129201887) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID129201887
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)C1=NOC(CCOCc2ccccc2)C1
InChIInChI=1S/C18H24N2O4/c21-18(19-11-15-6-8-22-13-15)17-10-16(24-20-17)7-9-23-12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,19,21)
InChIKeyBAHZVSPHOSFDQZ-UHFFFAOYSA-N
XLogP1.89
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.89
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-(oxolan-3-ylmethyl)-5-(4-phenylmethoxybutyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201904
N-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201885
5-(ethoxymethyl)-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 134390095
N-(oxolan-3-ylmethyl)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-carboxamide
CID 118861760
5-[1-(naphthalen-2-ylmethoxy)propyl]-N-(oxolan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201907
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
N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide
CID 90326189
N-[2-(oxolan-3-yl)ethyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326031
5-(benzylsulfanylmethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90326219
N-[2-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-1,2-oxazolidin-3-yl]formamide
CID 174951022
5-[(3,4-dichlorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536638

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 129201887) is N-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)C1=NOC(CCOCc2ccccc2)C1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is BAHZVSPHOSFDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-18(19-11-15-6-8-22-13-15)17-10-16(24-20-17)7-9-23-12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,19,21).
What are the key properties of N-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-(oxolan-3-ylmethyl)-5-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.89, 8 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-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 129201887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).