N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine

C11H12N2O — CID 83483514

IUPACN-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(NC3CC3)cc2o1
InChIInChI=1S/C11H12N2O/c1-7-12-10-5-4-9(6-11(10)14-7)13-8-2-3-8/h4-6,8,13H,2-3H2,1H3
InChIKeyXHLRSZFVERCKSJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.71
Rot. Bonds2

About N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine

N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine (PubChem CID 83483514) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine
PubChem CID83483514
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine
SMILESCc1nc2ccc(NC3CC3)cc2o1
InChIInChI=1S/C11H12N2O/c1-7-12-10-5-4-9(6-11(10)14-7)13-8-2-3-8/h4-6,8,13H,2-3H2,1H3
InChIKeyXHLRSZFVERCKSJ-UHFFFAOYSA-N
XLogP2.71
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine
CID 28675875
4-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1,4-diamine
CID 79724752
2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine
CID 64500181
N-(3,4-dimethylcyclohexyl)-2-methyl-1,3-benzoxazol-5-amine
CID 64732967
2-methyl-N-(thiolan-3-yl)-1,3-benzoxazol-5-amine
CID 43205250
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
2-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974727
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115195764
N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine
CID 115260505
N-[3-(2-methyl-1,3-benzoxazol-6-yl)propyl]cyclopropanamine
CID 96672948
2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone
CID 82495046

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine?
The IUPAC name of N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine (CID 83483514) is N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine?
The canonical SMILES for N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine is Cc1nc2ccc(NC3CC3)cc2o1.
What is the InChIKey of N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine?
The InChIKey is XHLRSZFVERCKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-12-10-5-4-9(6-11(10)14-7)13-8-2-3-8/h4-6,8,13H,2-3H2,1H3.
What are the key properties of N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine?
N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine has a molecular weight of 188.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 83483514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).