5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide

C14H15N7O2 — CID 97098020

IUPAC5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide
SMILESCCC[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1nn[nH]n1
InChIInChI=1S/C14H15N7O2/c1-2-4-10(13-17-20-21-18-13)16-14(22)11-7-12(23-19-11)9-5-3-6-15-8-9/h3,5-8,10H,2,4H2,1H3,(H,16,22)(H,17,18,20,21)/t10-/m0/s1
InChIKeyOCKQYVAXEVCLHU-JTQLQIEISA-N
MW313.32 g/mol
LogP1.52
Rot. Bonds6

About 5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide

5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide (PubChem CID 97098020) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide
PubChem CID97098020
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide
SMILESCCC[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1nn[nH]n1
InChIInChI=1S/C14H15N7O2/c1-2-4-10(13-17-20-21-18-13)16-14(22)11-7-12(23-19-11)9-5-3-6-15-8-9/h3,5-8,10H,2,4H2,1H3,(H,16,22)(H,17,18,20,21)/t10-/m0/s1
InChIKeyOCKQYVAXEVCLHU-JTQLQIEISA-N
XLogP1.52
TPSA122.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide (CID 97098020) is 5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide is CCC[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1nn[nH]n1.
What is the InChIKey of 5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OCKQYVAXEVCLHU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N7O2/c1-2-4-10(13-17-20-21-18-13)16-14(22)11-7-12(23-19-11)9-5-3-6-15-8-9/h3,5-8,10H,2,4H2,1H3,(H,16,22)(H,17,18,20,21)/t10-/m0/s1.
What are the key properties of 5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide?
5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 97098020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).