5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide

C14H12N6O2 — CID 167932960

IUPAC5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1-c1nn[nH]n1)c1ncoc1C1CC1
InChIInChI=1S/C14H12N6O2/c21-14(11-12(8-5-6-8)22-7-15-11)16-10-4-2-1-3-9(10)13-17-19-20-18-13/h1-4,7-8H,5-6H2,(H,16,21)(H,17,18,19,20)
InChIKeyRILRMJGLCJHABJ-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.98
Rot. Bonds4

About 5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 167932960) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID167932960
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1-c1nn[nH]n1)c1ncoc1C1CC1
InChIInChI=1S/C14H12N6O2/c21-14(11-12(8-5-6-8)22-7-15-11)16-10-4-2-1-3-9(10)13-17-19-20-18-13/h1-4,7-8H,5-6H2,(H,16,21)(H,17,18,19,20)
InChIKeyRILRMJGLCJHABJ-UHFFFAOYSA-N
XLogP1.98
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide (CID 167932960) is 5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide is O=C(Nc1ccccc1-c1nn[nH]n1)c1ncoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RILRMJGLCJHABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c21-14(11-12(8-5-6-8)22-7-15-11)16-10-4-2-1-3-9(10)13-17-19-20-18-13/h1-4,7-8H,5-6H2,(H,16,21)(H,17,18,19,20).
What are the key properties of 5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(2H-tetrazol-5-yl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167932960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).