N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide

C17H20N2O4 — CID 71935210

IUPACN-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(COCC2CCCCO2)c1)c1ccon1
InChIInChI=1S/C17H20N2O4/c20-17(16-7-9-23-19-16)18-14-5-3-4-13(10-14)11-21-12-15-6-1-2-8-22-15/h3-5,7,9-10,15H,1-2,6,8,11-12H2,(H,18,20)
InChIKeyGSJLGIDWZWDMTG-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.01
Rot. Bonds6

About N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide

N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 71935210) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID71935210
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(COCC2CCCCO2)c1)c1ccon1
InChIInChI=1S/C17H20N2O4/c20-17(16-7-9-23-19-16)18-14-5-3-4-13(10-14)11-21-12-15-6-1-2-8-22-15/h3-5,7,9-10,15H,1-2,6,8,11-12H2,(H,18,20)
InChIKeyGSJLGIDWZWDMTG-UHFFFAOYSA-N
XLogP3.01
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 97011567
(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
CID 94111035
N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
CID 96562652
N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 71893064
4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 47066120
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55932193
2,4-difluoro-6-hydroxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 71883387
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613
N-(3-chlorophenyl)-2-[3-(oxan-2-ylmethoxymethyl)anilino]propanamide
CID 55913856
2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118883
1-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-3-propan-2-ylthiourea
CID 94587170
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 55807172

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 71935210) is N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(COCC2CCCCO2)c1)c1ccon1.
What is the InChIKey of N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GSJLGIDWZWDMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-17(16-7-9-23-19-16)18-14-5-3-4-13(10-14)11-21-12-15-6-1-2-8-22-15/h3-5,7,9-10,15H,1-2,6,8,11-12H2,(H,18,20).
What are the key properties of N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide?
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71935210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).