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

C27H23N5O — CID 122636327

IUPAC5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine
SMILESCc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1Nc1cccc(-n2cccn2)n1
InChIInChI=1S/C27H23N5O/c1-18-26(30-24-4-2-5-25(29-24)32-17-3-16-28-32)27(33-31-18)23-14-12-22(13-15-23)21-10-8-20(9-11-21)19-6-7-19/h2-5,8-17,19H,6-7H2,1H3,(H,29,30)
InChIKeyCWCJUQDHEJGQAT-UHFFFAOYSA-N
MW433.52 g/mol
LogP6.52
Rot. Bonds6

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

5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine (PubChem CID 122636327) has the molecular formula C27H23N5O and a molecular weight of 433.52 g/mol. Its IUPAC name is 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine
PubChem CID122636327
Molecular FormulaC27H23N5O
Molecular Weight433.52 g/mol
Exact Mass433.19
IUPAC Name5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine
SMILESCc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1Nc1cccc(-n2cccn2)n1
InChIInChI=1S/C27H23N5O/c1-18-26(30-24-4-2-5-25(29-24)32-17-3-16-28-32)27(33-31-18)23-14-12-22(13-15-23)21-10-8-20(9-11-21)19-6-7-19/h2-5,8-17,19H,6-7H2,1H3,(H,29,30)
InChIKeyCWCJUQDHEJGQAT-UHFFFAOYSA-N
XLogP6.52
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine?
The IUPAC name of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine (CID 122636327) is 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine.
What is the SMILES notation for 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine?
The canonical SMILES for 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine is Cc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1Nc1cccc(-n2cccn2)n1.
What is the InChIKey of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine?
The InChIKey is CWCJUQDHEJGQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O/c1-18-26(30-24-4-2-5-25(29-24)32-17-3-16-28-32)27(33-31-18)23-14-12-22(13-15-23)21-10-8-20(9-11-21)19-6-7-19/h2-5,8-17,19H,6-7H2,1H3,(H,29,30).
What are the key properties of 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine?
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine has a molecular weight of 433.52 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-N-(6-pyrazol-1-yl-2-pyridinyl)-1,2-oxazol-4-amine is sourced from PubChem (CID 122636327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).