N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine

C15H16N4O — CID 47053661

IUPACN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine
SMILESCn1ncc2c1CCCC2Nc1nc2ccccc2o1
InChIInChI=1S/C15H16N4O/c1-19-13-7-4-6-11(10(13)9-16-19)17-15-18-12-5-2-3-8-14(12)20-15/h2-3,5,8-9,11H,4,6-7H2,1H3,(H,17,18)
InChIKeyKQNZWGICHUNPES-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.05
Rot. Bonds2

About N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine (PubChem CID 47053661) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine
PubChem CID47053661
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine
SMILESCn1ncc2c1CCCC2Nc1nc2ccccc2o1
InChIInChI=1S/C15H16N4O/c1-19-13-7-4-6-11(10(13)9-16-19)17-15-18-12-5-2-3-8-14(12)20-15/h2-3,5,8-9,11H,4,6-7H2,1H3,(H,17,18)
InChIKeyKQNZWGICHUNPES-UHFFFAOYSA-N
XLogP3.05
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine
CID 62841030
N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435422
N-(2-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254701
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-1,3-benzoxazol-2-amine
CID 128992031
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide
CID 38815166
N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 113234559
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]benzoic acid
CID 43254716
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine
CID 43681415
4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine
CID 43617025
N-(4-chloro-2-fluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43716682
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1H-indazol-7-amine
CID 43731062

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine (CID 47053661) is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine is Cn1ncc2c1CCCC2Nc1nc2ccccc2o1.
What is the InChIKey of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine?
The InChIKey is KQNZWGICHUNPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19-13-7-4-6-11(10(13)9-16-19)17-15-18-12-5-2-3-8-14(12)20-15/h2-3,5,8-9,11H,4,6-7H2,1H3,(H,17,18).
What are the key properties of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine?
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine has a molecular weight of 268.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 47053661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).