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

C17H20N2O4 — CID 90326032

IUPACN-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(COCc2ccccc2)on1
InChIInChI=1S/C17H20N2O4/c20-17(18-10-14-7-4-8-22-14)16-9-15(23-19-16)12-21-11-13-5-2-1-3-6-13/h1-3,5-6,9,14H,4,7-8,10-12H2,(H,18,20)
InChIKeyKHJCYAGQZVBOCQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.30
Rot. Bonds7

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

N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 90326032) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID90326032
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(COCc2ccccc2)on1
InChIInChI=1S/C17H20N2O4/c20-17(18-10-14-7-4-8-22-14)16-9-15(23-19-16)12-21-11-13-5-2-1-3-6-13/h1-3,5-6,9,14H,4,7-8,10-12H2,(H,18,20)
InChIKeyKHJCYAGQZVBOCQ-UHFFFAOYSA-N
XLogP2.30
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326078
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-(oxolan-2-ylmethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574102
3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369165
N-[2-(oxolan-3-yl)ethyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326031
N-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 118698708
5-[[benzoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23820023
5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110228
2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 92996325
5-[[4-[(2-fluorobenzoyl)amino]phenoxy]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95086436
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 55213200

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide (CID 90326032) is N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCCO1)c1cc(COCc2ccccc2)on1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KHJCYAGQZVBOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-17(18-10-14-7-4-8-22-14)16-9-15(23-19-16)12-21-11-13-5-2-1-3-6-13/h1-3,5-6,9,14H,4,7-8,10-12H2,(H,18,20).
What are the key properties of N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide?
N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90326032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).