N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine

C16H18N4O — CID 112727546

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCc1noc(C)c1CNCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H18N4O/c1-12-16(13(2)21-19-12)10-17-8-14-9-18-20(11-14)15-6-4-3-5-7-15/h3-7,9,11,17H,8,10H2,1-2H3
InChIKeyFQRAHLPRPZPJCU-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.77
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 112727546) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
PubChem CID112727546
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCc1noc(C)c1CNCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H18N4O/c1-12-16(13(2)21-19-12)10-17-8-14-9-18-20(11-14)15-6-4-3-5-7-15/h3-7,9,11,17H,8,10H2,1-2H3
InChIKeyFQRAHLPRPZPJCU-UHFFFAOYSA-N
XLogP2.77
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 28663771
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 30125187
N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
CID 114954910
N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 54896941
N',N'-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 16773449
2,2-dimethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 60668857
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-[1-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 56721816
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43590778
2-ethyl-2-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-1-amine
CID 103702185
1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 78942793
N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 61383755
1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 60976579

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine (CID 112727546) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine is Cc1noc(C)c1CNCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is FQRAHLPRPZPJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12-16(13(2)21-19-12)10-17-8-14-9-18-20(11-14)15-6-4-3-5-7-15/h3-7,9,11,17H,8,10H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 282.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 112727546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).