5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine

C25H21N7O — CID 122636262

IUPAC5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine
SMILESCc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1Nc1cccc(-c2nn[nH]n2)n1
InChIInChI=1S/C25H21N7O/c1-15-23(27-22-4-2-3-21(26-22)25-28-31-32-29-25)24(33-30-15)20-13-11-19(12-14-20)18-9-7-17(8-10-18)16-5-6-16/h2-4,7-14,16H,5-6H2,1H3,(H,26,27)(H,28,29,31,32)
InChIKeyZDUJAKUPWSUJMP-UHFFFAOYSA-N
MW435.49 g/mol
LogP5.51
Rot. Bonds6

About 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine

5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine (PubChem CID 122636262) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine
PubChem CID122636262
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC Name5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine
SMILESCc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1Nc1cccc(-c2nn[nH]n2)n1
InChIInChI=1S/C25H21N7O/c1-15-23(27-22-4-2-3-21(26-22)25-28-31-32-29-25)24(33-30-15)20-13-11-19(12-14-20)18-9-7-17(8-10-18)16-5-6-16/h2-4,7-14,16H,5-6H2,1H3,(H,26,27)(H,28,29,31,32)
InChIKeyZDUJAKUPWSUJMP-UHFFFAOYSA-N
XLogP5.51
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine?
The IUPAC name of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine (CID 122636262) is 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine.
What is the SMILES notation for 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine?
The canonical SMILES for 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine is Cc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1Nc1cccc(-c2nn[nH]n2)n1.
What is the InChIKey of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine?
The InChIKey is ZDUJAKUPWSUJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c1-15-23(27-22-4-2-3-21(26-22)25-28-31-32-29-25)24(33-30-15)20-13-11-19(12-14-20)18-9-7-17(8-10-18)16-5-6-16/h2-4,7-14,16H,5-6H2,1H3,(H,26,27)(H,28,29,31,32).
What are the key properties of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine?
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine has a molecular weight of 435.49 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,2-oxazol-4-amine is sourced from PubChem (CID 122636262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).