N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine

C15H16N4O — CID 106415339

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESc1ccc(Cn2cc(CNCc3ccno3)cn2)cc1
InChIInChI=1S/C15H16N4O/c1-2-4-13(5-3-1)11-19-12-14(9-17-19)8-16-10-15-6-7-18-20-15/h1-7,9,12,16H,8,10-11H2
InChIKeyDGTWTTVFGRZETH-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.21
Rot. Bonds6

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

N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine (PubChem CID 106415339) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
PubChem CID106415339
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESc1ccc(Cn2cc(CNCc3ccno3)cn2)cc1
InChIInChI=1S/C15H16N4O/c1-2-4-13(5-3-1)11-19-12-14(9-17-19)8-16-10-15-6-7-18-20-15/h1-7,9,12,16H,8,10-11H2
InChIKeyDGTWTTVFGRZETH-UHFFFAOYSA-N
XLogP2.21
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 104665276
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
1-(1-benzylpyrazol-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 166184704
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
3-[(1-benzylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857456
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[(1-benzylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79037268
1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 51086173
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 122198913

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine (CID 106415339) is N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine is c1ccc(Cn2cc(CNCc3ccno3)cn2)cc1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The InChIKey is DGTWTTVFGRZETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-4-13(5-3-1)11-19-12-14(9-17-19)8-16-10-15-6-7-18-20-15/h1-7,9,12,16H,8,10-11H2.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine has a molecular weight of 268.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 106415339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).