N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine

C13H16N2O — CID 28675875

IUPACN-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NC3CCCC3)ccc2o1
InChIInChI=1S/C13H16N2O/c1-9-14-12-8-11(6-7-13(12)16-9)15-10-4-2-3-5-10/h6-8,10,15H,2-5H2,1H3
InChIKeyCAPVGZYWCAGQQI-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.49
Rot. Bonds2

About N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine

N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine (PubChem CID 28675875) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine
PubChem CID28675875
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NC3CCCC3)ccc2o1
InChIInChI=1S/C13H16N2O/c1-9-14-12-8-11(6-7-13(12)16-9)15-10-4-2-3-5-10/h6-8,10,15H,2-5H2,1H3
InChIKeyCAPVGZYWCAGQQI-UHFFFAOYSA-N
XLogP3.49
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine
CID 83483514
2-methyl-N-[3-(2-methylpropyl)cyclohexyl]-1,3-benzoxazol-5-amine
CID 107427997
N-(2-methoxycyclohexyl)-2-methyl-1,3-benzoxazol-5-amine
CID 43769788
N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686416
N-cyclopropyl-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 103439136
2-ethyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine
CID 65081910
2-ethyl-N-(4-methylcycloheptyl)-1,3-benzoxazol-5-amine
CID 65080430
2-cyclopropyl-N-(oxepan-4-yl)-1,3-benzoxazol-5-amine
CID 65081682

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine (CID 28675875) is N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine is Cc1nc2cc(NC3CCCC3)ccc2o1.
What is the InChIKey of N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine?
The InChIKey is CAPVGZYWCAGQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-14-12-8-11(6-7-13(12)16-9)15-10-4-2-3-5-10/h6-8,10,15H,2-5H2,1H3.
What are the key properties of N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine?
N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine has a molecular weight of 216.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 28675875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).