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

C21H30N2O4 — CID 129201885

IUPACN-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)C1=NOC(CCCCCOCc2ccccc2)C1
InChIInChI=1S/C21H30N2O4/c24-21(22-14-18-10-12-26-16-18)20-13-19(27-23-20)9-5-2-6-11-25-15-17-7-3-1-4-8-17/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,22,24)
InChIKeyBOZILPSPNLHCIV-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.06
Rot. Bonds11

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

N-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 129201885) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID129201885
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC NameN-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)C1=NOC(CCCCCOCc2ccccc2)C1
InChIInChI=1S/C21H30N2O4/c24-21(22-14-18-10-12-26-16-18)20-13-19(27-23-20)9-5-2-6-11-25-15-17-7-3-1-4-8-17/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,22,24)
InChIKeyBOZILPSPNLHCIV-UHFFFAOYSA-N
XLogP3.06
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.06
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-(2-phenylmethoxyethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 129201887
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
N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 130275036
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-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide
CID 90325844

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 129201885) is N-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)C1=NOC(CCCCCOCc2ccccc2)C1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is BOZILPSPNLHCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c24-21(22-14-18-10-12-26-16-18)20-13-19(27-23-20)9-5-2-6-11-25-15-17-7-3-1-4-8-17/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,22,24).
What are the key properties of N-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-(oxolan-3-ylmethyl)-5-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 3.06, 11 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-(5-phenylmethoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 129201885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).