5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide

C18H22N2O4 — CID 96563639

IUPAC5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N[C@H](c2ccccc2)C2CCOCC2)no1
InChIInChI=1S/C18H22N2O4/c1-22-12-15-11-16(20-24-15)18(21)19-17(13-5-3-2-4-6-13)14-7-9-23-10-8-14/h2-6,11,14,17H,7-10,12H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyHBNYUUJFRGCEFP-QGZVFWFLSA-N
MW330.38 g/mol
LogP2.72
Rot. Bonds6

About 5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide

5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 96563639) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID96563639
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)N[C@H](c2ccccc2)C2CCOCC2)no1
InChIInChI=1S/C18H22N2O4/c1-22-12-15-11-16(20-24-15)18(21)19-17(13-5-3-2-4-6-13)14-7-9-23-10-8-14/h2-6,11,14,17H,7-10,12H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyHBNYUUJFRGCEFP-QGZVFWFLSA-N
XLogP2.72
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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 5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide (CID 96563639) is 5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)N[C@H](c2ccccc2)C2CCOCC2)no1.
What is the InChIKey of 5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HBNYUUJFRGCEFP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-22-12-15-11-16(20-24-15)18(21)19-17(13-5-3-2-4-6-13)14-7-9-23-10-8-14/h2-6,11,14,17H,7-10,12H2,1H3,(H,19,21)/t17-/m1/s1.
What are the key properties of 5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide?
5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[(S)-oxan-4-yl(phenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 96563639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).