5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine

C27H23N5O2 — CID 155541303

IUPAC5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
SMILESC=CCNc1nnc(-c2ccccc2-c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)o1
InChIInChI=1S/C27H23N5O2/c1-3-17-28-27-30-29-26(34-27)23-12-8-7-11-22(23)24-18-32(20-9-5-4-6-10-20)31-25(24)19-13-15-21(33-2)16-14-19/h3-16,18H,1,17H2,2H3,(H,28,30)
InChIKeyPZSIDXDIVLRMIH-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.86
Rot. Bonds8

About 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine

5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine (PubChem CID 155541303) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
PubChem CID155541303
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC Name5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
SMILESC=CCNc1nnc(-c2ccccc2-c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)o1
InChIInChI=1S/C27H23N5O2/c1-3-17-28-27-30-29-26(34-27)23-12-8-7-11-22(23)24-18-32(20-9-5-4-6-10-20)31-25(24)19-13-15-21(33-2)16-14-19/h3-16,18H,1,17H2,2H3,(H,28,30)
InChIKeyPZSIDXDIVLRMIH-UHFFFAOYSA-N
XLogP5.86
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrazole-1-carboxylate
CID 137297511
3-(4-methoxyphenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 134150899
3-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]isoquinoline-6-carboxamide
CID 73336036
3-(4-methoxyphenyl)-N,1-diphenyl-1H-pyrazole-4-carboxamide
CID 1206526
N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 24685600
US11390631, Example 202
CID 134461386
US11390631, Example 36
CID 134461419
2-[3-(4-Methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 46934257
N-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53319684
5-[2-[3-(4-Methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-1,3,4-oxadiazol-2-amine
CID 155552273
N-(1-(1-(2,3-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methyl-1H-pyrazol-5-yl)-2-(4-methoxyphenyl)acetamide
CID 135881016
N-benzyl-3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1156697

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine (CID 155541303) is 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine is C=CCNc1nnc(-c2ccccc2-c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)o1.
What is the InChIKey of 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
The InChIKey is PZSIDXDIVLRMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c1-3-17-28-27-30-29-26(34-27)23-12-8-7-11-22(23)24-18-32(20-9-5-4-6-10-20)31-25(24)19-13-15-21(33-2)16-14-19/h3-16,18H,1,17H2,2H3,(H,28,30).
What are the key properties of 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine has a molecular weight of 449.51 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 155541303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).