N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide

C19H19N5O2 — CID 135092758

IUPACN-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccccc1-n1cncn1
InChIInChI=1S/C19H19N5O2/c25-19(16-3-1-2-4-18(16)24-13-21-12-22-24)23-17-11-26-10-15(17)9-14-5-7-20-8-6-14/h1-8,12-13,15,17H,9-11H2,(H,23,25)/t15-,17+/m1/s1
InChIKeyDBBVZLXIZOOQCA-WBVHZDCISA-N
MW349.39 g/mol
LogP1.65
Rot. Bonds5

About N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 135092758) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide
PubChem CID135092758
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccccc1-n1cncn1
InChIInChI=1S/C19H19N5O2/c25-19(16-3-1-2-4-18(16)24-13-21-12-22-24)23-17-11-26-10-15(17)9-14-5-7-20-8-6-14/h1-8,12-13,15,17H,9-11H2,(H,23,25)/t15-,17+/m1/s1
InChIKeyDBBVZLXIZOOQCA-WBVHZDCISA-N
XLogP1.65
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide (CID 135092758) is N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide is O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1ccccc1-n1cncn1.
What is the InChIKey of N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is DBBVZLXIZOOQCA-WBVHZDCISA-N. The full InChI is InChI=1S/C19H19N5O2/c25-19(16-3-1-2-4-18(16)24-13-21-12-22-24)23-17-11-26-10-15(17)9-14-5-7-20-8-6-14/h1-8,12-13,15,17H,9-11H2,(H,23,25)/t15-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide?
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 349.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 135092758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).