5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine

C18H15N5O — CID 11045337

IUPAC5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(-c2cc(-c3nnc(Nc4ccccc4)o3)[nH]n2)cc1
InChIInChI=1S/C18H15N5O/c1-12-7-9-13(10-8-12)15-11-16(21-20-15)17-22-23-18(24-17)19-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,23)(H,20,21)
InChIKeyNAZZNSKQZMLUNX-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.18
Rot. Bonds4

About 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine

5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 11045337) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID11045337
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(-c2cc(-c3nnc(Nc4ccccc4)o3)[nH]n2)cc1
InChIInChI=1S/C18H15N5O/c1-12-7-9-13(10-8-12)15-11-16(21-20-15)17-22-23-18(24-17)19-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,23)(H,20,21)
InChIKeyNAZZNSKQZMLUNX-UHFFFAOYSA-N
XLogP4.18
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599
N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
N-(4-fluorophenyl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 71527254
5-(2-methyl-3-pyridinyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 143729405
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632426
4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide
CID 135269919
2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline
CID 10682079
4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenol
CID 110456485
5-(4-methylanilino)-3H-1,3,4-oxadiazole-2-thione
CID 15850112
6-methyl-N-phenyl-1,3-benzoxazol-2-amine
CID 59991820
N-cyclohexyl-5-quinolin-6-yl-1,3,4-oxadiazol-2-amine;N-ethyl-5-quinolin-6-yl-1,3,4-oxadiazol-2-amine;N-(4-methylphenyl)-5-quinolin-6-yl-1,3,4-oxadiazol-2-amine;N-phenyl-5-quinolin-6-yl-1,3,4-oxadiazol-2-amine
CID 158740817

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine (CID 11045337) is 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine is Cc1ccc(-c2cc(-c3nnc(Nc4ccccc4)o3)[nH]n2)cc1.
What is the InChIKey of 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is NAZZNSKQZMLUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12-7-9-13(10-8-12)15-11-16(21-20-15)17-22-23-18(24-17)19-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,23)(H,20,21).
What are the key properties of 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine?
5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 317.35 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 11045337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).