N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine

C19H24N4O — CID 74231793

IUPACN-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESCC(C)c1cc(CN(C)Cc2ccc(Cn3cccn3)cc2)no1
InChIInChI=1S/C19H24N4O/c1-15(2)19-11-18(21-24-19)14-22(3)12-16-5-7-17(8-6-16)13-23-10-4-9-20-23/h4-11,15H,12-14H2,1-3H3
InChIKeyGCYOQXDZDDMRTF-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.67
Rot. Bonds7

About N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine

N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine (PubChem CID 74231793) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
PubChem CID74231793
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESCC(C)c1cc(CN(C)Cc2ccc(Cn3cccn3)cc2)no1
InChIInChI=1S/C19H24N4O/c1-15(2)19-11-18(21-24-19)14-22(3)12-16-5-7-17(8-6-16)13-23-10-4-9-20-23/h4-11,15H,12-14H2,1-3H3
InChIKeyGCYOQXDZDDMRTF-UHFFFAOYSA-N
XLogP3.67
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea
CID 57422420
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one
CID 57422491
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 57944900
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 57944953
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-phenylbutanamide
CID 57944991
N-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-1-isoxazol-3-yl-N-methylethanamine
CID 16191584
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 57422275
2-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)isoindolin-1-one
CID 57422413
1-Benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4,5-trione
CID 57944981
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2-phenylpropanamide
CID 25206165

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine?
The IUPAC name of N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine (CID 74231793) is N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine is CC(C)c1cc(CN(C)Cc2ccc(Cn3cccn3)cc2)no1.
What is the InChIKey of N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine?
The InChIKey is GCYOQXDZDDMRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15(2)19-11-18(21-24-19)14-22(3)12-16-5-7-17(8-6-16)13-23-10-4-9-20-23/h4-11,15H,12-14H2,1-3H3.
What are the key properties of N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine?
N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine has a molecular weight of 324.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 74231793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).