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

C20H18N4O — CID 56659394

IUPAC1-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenylpyrazol-3-amine
SMILESCc1cccc(-c2nc(Cn3nc(N)cc3-c3ccccc3)co2)c1
InChIInChI=1S/C20H18N4O/c1-14-6-5-9-16(10-14)20-22-17(13-25-20)12-24-18(11-19(21)23-24)15-7-3-2-4-8-15/h2-11,13H,12H2,1H3,(H2,21,23)
InChIKeyXDLDPKMWELHUTR-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.14
Rot. Bonds4

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

1-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenylpyrazol-3-amine (PubChem CID 56659394) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenylpyrazol-3-amine.

Molecular Properties

Compound Name1-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenylpyrazol-3-amine
PubChem CID56659394
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name1-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenylpyrazol-3-amine
SMILESCc1cccc(-c2nc(Cn3nc(N)cc3-c3ccccc3)co2)c1
InChIInChI=1S/C20H18N4O/c1-14-6-5-9-16(10-14)20-22-17(13-25-20)12-24-18(11-19(21)23-24)15-7-3-2-4-8-15/h2-11,13H,12H2,1H3,(H2,21,23)
InChIKeyXDLDPKMWELHUTR-UHFFFAOYSA-N
XLogP4.14
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 56662047
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methylphenyl)methanamine
CID 56661858
1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 56665525
N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 56661925
1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine
CID 65249857
2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030068
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one
CID 46484281
5-(4-methylphenyl)-1-propylpyrazol-3-amine
CID 67610637
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
4-[[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-2-phenyl-1,3-oxazole
CID 74235764
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 56672340

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenylpyrazol-3-amine?
The IUPAC name of 1-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenylpyrazol-3-amine (CID 56659394) is 1-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenylpyrazol-3-amine.
What is the SMILES notation for 1-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenylpyrazol-3-amine?
The canonical SMILES for 1-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenylpyrazol-3-amine is Cc1cccc(-c2nc(Cn3nc(N)cc3-c3ccccc3)co2)c1.
What is the InChIKey of 1-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenylpyrazol-3-amine?
The InChIKey is XDLDPKMWELHUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-6-5-9-16(10-14)20-22-17(13-25-20)12-24-18(11-19(21)23-24)15-7-3-2-4-8-15/h2-11,13H,12H2,1H3,(H2,21,23).
What are the key properties of 1-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenylpyrazol-3-amine?
1-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenylpyrazol-3-amine has a molecular weight of 330.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenylpyrazol-3-amine is sourced from PubChem (CID 56659394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).