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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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).