N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide

C18H15N7O2 — CID 126449538

IUPACN-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide
SMILESC[C@H](NC(=O)c1ccccc1-n1cnnc1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H15N7O2/c1-12(18-23-16(24-27-18)13-5-4-8-19-9-13)22-17(26)14-6-2-3-7-15(14)25-10-20-21-11-25/h2-12H,1H3,(H,22,26)/t12-/m0/s1
InChIKeyLQPDNTGCAIONSF-LBPRGKRZSA-N
MW361.37 g/mol
LogP2.20
Rot. Bonds5

About N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide

N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide (PubChem CID 126449538) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide
PubChem CID126449538
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC NameN-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide
SMILESC[C@H](NC(=O)c1ccccc1-n1cnnc1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H15N7O2/c1-12(18-23-16(24-27-18)13-5-4-8-19-9-13)22-17(26)14-6-2-3-7-15(14)25-10-20-21-11-25/h2-12H,1H3,(H,22,26)/t12-/m0/s1
InChIKeyLQPDNTGCAIONSF-LBPRGKRZSA-N
XLogP2.20
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide (CID 126449538) is N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide is C[C@H](NC(=O)c1ccccc1-n1cnnc1)c1nc(-c2cccnc2)no1.
What is the InChIKey of N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is LQPDNTGCAIONSF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H15N7O2/c1-12(18-23-16(24-27-18)13-5-4-8-19-9-13)22-17(26)14-6-2-3-7-15(14)25-10-20-21-11-25/h2-12H,1H3,(H,22,26)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide?
N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 361.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 126449538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).