N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide

C16H20N4O3 — CID 91765784

IUPACN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(Cn1cnnc1)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C16H20N4O3/c21-16(8-20-11-17-18-12-20)19-14-10-22-7-6-15(14)23-9-13-4-2-1-3-5-13/h1-5,11-12,14-15H,6-10H2,(H,19,21)/t14-,15+/m1/s1
InChIKeyGTDNDCRKERFAOJ-CABCVRRESA-N
MW316.36 g/mol
LogP0.77
Rot. Bonds6

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

N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide (PubChem CID 91765784) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide
PubChem CID91765784
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(Cn1cnnc1)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C16H20N4O3/c21-16(8-20-11-17-18-12-20)19-14-10-22-7-6-15(14)23-9-13-4-2-1-3-5-13/h1-5,11-12,14-15H,6-10H2,(H,19,21)/t14-,15+/m1/s1
InChIKeyGTDNDCRKERFAOJ-CABCVRRESA-N
XLogP0.77
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91785233
1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 91830789
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
CID 91797210
2-[methyl(propan-2-yl)amino]-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91760455
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
CID 91777487
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-piperidin-1-ylacetamide
CID 91786681
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-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(benzotriazol-2-yl)acetamide
CID 90653846
5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide
CID 91776631
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]-2-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide (CID 91765784) is N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide is O=C(Cn1cnnc1)N[C@@H]1COCC[C@@H]1OCc1ccccc1.
What is the InChIKey of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is GTDNDCRKERFAOJ-CABCVRRESA-N. The full InChI is InChI=1S/C16H20N4O3/c21-16(8-20-11-17-18-12-20)19-14-10-22-7-6-15(14)23-9-13-4-2-1-3-5-13/h1-5,11-12,14-15H,6-10H2,(H,19,21)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide?
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 91765784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).