2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine

C14H18N2O — CID 64500181

IUPAC2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NC3CCC(C)C3)ccc2o1
InChIInChI=1S/C14H18N2O/c1-9-3-4-11(7-9)16-12-5-6-14-13(8-12)15-10(2)17-14/h5-6,8-9,11,16H,3-4,7H2,1-2H3
InChIKeyOWMIBZXBXPPZTB-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.74
Rot. Bonds2

About 2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine

2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine (PubChem CID 64500181) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine
PubChem CID64500181
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NC3CCC(C)C3)ccc2o1
InChIInChI=1S/C14H18N2O/c1-9-3-4-11(7-9)16-12-5-6-14-13(8-12)15-10(2)17-14/h5-6,8-9,11,16H,3-4,7H2,1-2H3
InChIKeyOWMIBZXBXPPZTB-UHFFFAOYSA-N
XLogP3.74
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine (CID 64500181) is 2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine is Cc1nc2cc(NC3CCC(C)C3)ccc2o1.
What is the InChIKey of 2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine?
The InChIKey is OWMIBZXBXPPZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-3-4-11(7-9)16-12-5-6-14-13(8-12)15-10(2)17-14/h5-6,8-9,11,16H,3-4,7H2,1-2H3.
What are the key properties of 2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine?
2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine has a molecular weight of 230.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylcyclopentyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 64500181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).