N-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine

C14H16N4O — CID 63001057

IUPACN-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine
SMILESCc1cc(CNCc2nn(C)c3ccccc23)no1
InChIInChI=1S/C14H16N4O/c1-10-7-11(17-19-10)8-15-9-13-12-5-3-4-6-14(12)18(2)16-13/h3-7,15H,8-9H2,1-2H3
InChIKeyVHPPOLZHTPEEAB-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.16
Rot. Bonds4

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

N-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine (PubChem CID 63001057) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine
PubChem CID63001057
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine
SMILESCc1cc(CNCc2nn(C)c3ccccc23)no1
InChIInChI=1S/C14H16N4O/c1-10-7-11(17-19-10)8-15-9-13-12-5-3-4-6-14(12)18(2)16-13/h3-7,15H,8-9H2,1-2H3
InChIKeyVHPPOLZHTPEEAB-UHFFFAOYSA-N
XLogP2.16
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-5-[(3-phenylindazol-1-yl)methyl]-1,2-oxazole
CID 73504348
N-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-YL)-5-(propan-2-YL)-1,2-oxazole-3-carboxamide
CID 15988782
4-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 20876871
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine
CID 45833434
N-((1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)-5-phenylisoxazole-3-carboxamide
CID 71808318
4-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 20876868
4-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-{[4-(dimethylamino)phenyl]methyl}-5-methyl-1,2-oxazole-3-carboxamide
CID 20949031
N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-methyl-N'-(1-methyl-1H-indazol-5-yl)urea
CID 72879689
1-(5-isopropylisoxazol-3-yl)-N-methyl-N-[4-(1H-pyrazol-1-ylmethyl)benzyl]methanamine
CID 74231793
4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 92493387
2-methyl-N-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)indazole-3-carboxamide
CID 138027290
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2-isocyanophenyl)methyl]pyrazol-4-amine
CID 57944995

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine (CID 63001057) is N-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine is Cc1cc(CNCc2nn(C)c3ccccc23)no1.
What is the InChIKey of N-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine?
The InChIKey is VHPPOLZHTPEEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-7-11(17-19-10)8-15-9-13-12-5-3-4-6-14(12)18(2)16-13/h3-7,15H,8-9H2,1-2H3.
What are the key properties of N-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine?
N-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine has a molecular weight of 256.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindazol-3-yl)methyl]-1-(5-methyl-1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 63001057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).