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

C18H22N2O4 — CID 90326189

IUPACN-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide
SMILESCC(OCc1ccccc1)c1cc(C(=O)NCC2CCOC2)no1
InChIInChI=1S/C18H22N2O4/c1-13(23-12-14-5-3-2-4-6-14)17-9-16(20-24-17)18(21)19-10-15-7-8-22-11-15/h2-6,9,13,15H,7-8,10-12H2,1H3,(H,19,21)
InChIKeyNORRUFQPWGRPKS-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.72
Rot. Bonds7

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

N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide (PubChem CID 90326189) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide
PubChem CID90326189
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide
SMILESCC(OCc1ccccc1)c1cc(C(=O)NCC2CCOC2)no1
InChIInChI=1S/C18H22N2O4/c1-13(23-12-14-5-3-2-4-6-14)17-9-16(20-24-17)18(21)19-10-15-7-8-22-11-15/h2-6,9,13,15H,7-8,10-12H2,1H3,(H,19,21)
InChIKeyNORRUFQPWGRPKS-UHFFFAOYSA-N
XLogP2.72
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide (CID 90326189) is N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide is CC(OCc1ccccc1)c1cc(C(=O)NCC2CCOC2)no1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NORRUFQPWGRPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13(23-12-14-5-3-2-4-6-14)17-9-16(20-24-17)18(21)19-10-15-7-8-22-11-15/h2-6,9,13,15H,7-8,10-12H2,1H3,(H,19,21).
What are the key properties of N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide?
N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.72, 7 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-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90326189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).