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

C23H24N4O — CID 34323364

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C23H24N4O/c1-17-22(18(2)27(24-17)20-12-8-5-9-13-20)16-26(3)15-21-14-23(25-28-21)19-10-6-4-7-11-19/h4-14H,15-16H2,1-3H3
InChIKeyRSHCLHRMHLHHHO-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.78
Rot. Bonds6

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

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine (PubChem CID 34323364) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
PubChem CID34323364
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C23H24N4O/c1-17-22(18(2)27(24-17)20-12-8-5-9-13-20)16-26(3)15-21-14-23(25-28-21)19-10-6-4-7-11-19/h4-14H,15-16H2,1-3H3
InChIKeyRSHCLHRMHLHHHO-UHFFFAOYSA-N
XLogP4.78
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine (CID 34323364) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine is Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine?
The InChIKey is RSHCLHRMHLHHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-22(18(2)27(24-17)20-12-8-5-9-13-20)16-26(3)15-21-14-23(25-28-21)19-10-6-4-7-11-19/h4-14H,15-16H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine has a molecular weight of 372.47 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 34323364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).