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

C16H18N2O4 — CID 91797210

IUPACN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1ccon1
InChIInChI=1S/C16H18N2O4/c19-16(13-6-9-22-18-13)17-14-11-20-8-7-15(14)21-10-12-4-2-1-3-5-12/h1-6,9,14-15H,7-8,10-11H2,(H,17,19)/t14-,15+/m1/s1
InChIKeyYQSUPVQWEDEFQO-CABCVRRESA-N
MW302.33 g/mol
LogP1.78
Rot. Bonds5

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

N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 91797210) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID91797210
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1ccon1
InChIInChI=1S/C16H18N2O4/c19-16(13-6-9-22-18-13)17-14-11-20-8-7-15(14)21-10-12-4-2-1-3-5-12/h1-6,9,14-15H,7-8,10-11H2,(H,17,19)/t14-,15+/m1/s1
InChIKeyYQSUPVQWEDEFQO-CABCVRRESA-N
XLogP1.78
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
CID 91781998
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide
CID 91780512
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide
CID 91765784
1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
CID 91777487
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 91830789
5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide
CID 91776631
2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91785233
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 91772273
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 91763615
N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide
CID 156609821
1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide
CID 91765488

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide (CID 91797210) is N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide is O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1ccon1.
What is the InChIKey of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is YQSUPVQWEDEFQO-CABCVRRESA-N. The full InChI is InChI=1S/C16H18N2O4/c19-16(13-6-9-22-18-13)17-14-11-20-8-7-15(14)21-10-12-4-2-1-3-5-12/h1-6,9,14-15H,7-8,10-11H2,(H,17,19)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide?
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91797210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).