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

C18H22N2O4 — CID 90326078

IUPACN-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCCOC1)c1cc(COCc2ccccc2)on1
InChIInChI=1S/C18H22N2O4/c21-18(19-10-15-7-4-8-22-12-15)17-9-16(24-20-17)13-23-11-14-5-2-1-3-6-14/h1-3,5-6,9,15H,4,7-8,10-13H2,(H,19,21)
InChIKeyFCTRUZQJRNOJDM-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.55
Rot. Bonds7

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

N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 90326078) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID90326078
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCCOC1)c1cc(COCc2ccccc2)on1
InChIInChI=1S/C18H22N2O4/c21-18(19-10-15-7-4-8-22-12-15)17-9-16(24-20-17)13-23-11-14-5-2-1-3-6-14/h1-3,5-6,9,15H,4,7-8,10-13H2,(H,19,21)
InChIKeyFCTRUZQJRNOJDM-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 118698708
N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326032
N-[2-(oxolan-3-yl)ethyl]-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326031
N-(oxolan-3-ylmethyl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 118536804
5-[(3,4-dichlorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536638
5-[(3,4-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325875
5-(benzylsulfanylmethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90326219
N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide
CID 90326189
5-[(2,3-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325977
5-[(4-chloro-2-fluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325753
N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide
CID 90325844
5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325779

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide (CID 90326078) is N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCCOC1)c1cc(COCc2ccccc2)on1.
What is the InChIKey of N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FCTRUZQJRNOJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-18(19-10-15-7-4-8-22-12-15)17-9-16(24-20-17)13-23-11-14-5-2-1-3-6-14/h1-3,5-6,9,15H,4,7-8,10-13H2,(H,19,21).
What are the key properties of N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide?
N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90326078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).