3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide

C17H20N2O4 — CID 91775648

IUPAC3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)on1
InChIInChI=1S/C17H20N2O4/c1-12-9-15(23-19-12)17(20)18-14-7-8-21-11-16(14)22-10-13-5-3-2-4-6-13/h2-6,9,14,16H,7-8,10-11H2,1H3,(H,18,20)/t14-,16-/m1/s1
InChIKeyLFEWODSRZUWCSE-GDBMZVCRSA-N
MW316.36 g/mol
LogP2.09
Rot. Bonds5

About 3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide

3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 91775648) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID91775648
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)on1
InChIInChI=1S/C17H20N2O4/c1-12-9-15(23-19-12)17(20)18-14-7-8-21-11-16(14)22-10-13-5-3-2-4-6-13/h2-6,9,14,16H,7-8,10-11H2,1H3,(H,18,20)/t14-,16-/m1/s1
InChIKeyLFEWODSRZUWCSE-GDBMZVCRSA-N
XLogP2.09
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91763043
2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide
CID 91769972
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
CID 91768844
2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91773629
4-ethyl-2-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,3-thiazole-5-carboxamide
CID 91777414
3-(3-chloro-1,2-oxazol-5-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91790407
N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide
CID 156609821
2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide
CID 91765136
N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide
CID 156609597
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 91787671

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide (CID 91775648) is 3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)on1.
What is the InChIKey of 3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is LFEWODSRZUWCSE-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-9-15(23-19-12)17(20)18-14-7-8-21-11-16(14)22-10-13-5-3-2-4-6-13/h2-6,9,14,16H,7-8,10-11H2,1H3,(H,18,20)/t14-,16-/m1/s1.
What are the key properties of 3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91775648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).