N-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine

C26H22N4O — CID 153433682

IUPACN-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(CNc2ccon2)cnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H22N4O/c1-19-7-5-6-10-24(19)26-22(17-27-25-15-16-31-29-25)18-28-30(26)23-13-11-21(12-14-23)20-8-3-2-4-9-20/h2-16,18H,17H2,1H3,(H,27,29)
InChIKeyOHMCOKUYQIUUAL-UHFFFAOYSA-N
MW406.49 g/mol
LogP6.11
Rot. Bonds6

About N-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine

N-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine (PubChem CID 153433682) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine
PubChem CID153433682
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC NameN-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(CNc2ccon2)cnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H22N4O/c1-19-7-5-6-10-24(19)26-22(17-27-25-15-16-31-29-25)18-28-30(26)23-13-11-21(12-14-23)20-8-3-2-4-9-20/h2-16,18H,17H2,1H3,(H,27,29)
InChIKeyOHMCOKUYQIUUAL-UHFFFAOYSA-N
XLogP6.11
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methylphenyl)-5-phenylpyrazol-4-yl]methanamine
CID 61367384
N-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 142678029
3-[(1,2-oxazol-3-ylamino)methyl]benzene-1,2-diamine
CID 170537548
5-bromo-N-[2-methyl-6-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 11225088
[2-tert-butyl-4-[[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methylamino]piperidin-1-yl] hydrogen carbonate
CID 91257755
N-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]butan-1-amine
CID 69363559
2-N-[[5-(2-fluorophenyl)-1-[6-(4-fluorophenyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrimidine-2,5-diamine
CID 142678059
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
4-[2-[5-(2-fluorophenyl)-1-(4-phenylphenyl)pyrazol-4-yl]ethyl]-1,4-oxazepane
CID 142949271
4,7-difluoro-6-methyl-1-(4-phenylphenyl)indazole
CID 163233433
(5-phenyl-1-pyridin-4-ylpyrazol-4-yl)methanamine
CID 61368343

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine?
The IUPAC name of N-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine (CID 153433682) is N-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for N-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine?
The canonical SMILES for N-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine is Cc1ccccc1-c1c(CNc2ccon2)cnn1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine?
The InChIKey is OHMCOKUYQIUUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-19-7-5-6-10-24(19)26-22(17-27-25-15-16-31-29-25)18-28-30(26)23-13-11-21(12-14-23)20-8-3-2-4-9-20/h2-16,18H,17H2,1H3,(H,27,29).
What are the key properties of N-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine?
N-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine has a molecular weight of 406.49 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylphenyl)-1-(4-phenylphenyl)pyrazol-4-yl]methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 153433682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).