2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine

C14H19N3O — CID 79884557

IUPAC2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine
SMILESNc1ccc2oc(NCCC3CCCC3)nc2c1
InChIInChI=1S/C14H19N3O/c15-11-5-6-13-12(9-11)17-14(18-13)16-8-7-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8,15H2,(H,16,17)
InChIKeyQMVSFYQBEQVYPX-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.40
Rot. Bonds4

About 2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine

2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine (PubChem CID 79884557) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine
PubChem CID79884557
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine
SMILESNc1ccc2oc(NCCC3CCCC3)nc2c1
InChIInChI=1S/C14H19N3O/c15-11-5-6-13-12(9-11)17-14(18-13)16-8-7-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8,15H2,(H,16,17)
InChIKeyQMVSFYQBEQVYPX-UHFFFAOYSA-N
XLogP3.40
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-[(3-methylcyclopentyl)methyl]-1,3-benzoxazole-2,5-diamine
CID 107411287
2-N-(cyclohexylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79891086
2-N-(2,2-dicyclopropylethyl)-1,3-benzoxazole-2,5-diamine
CID 79890367
2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzoxazole-2,5-diamine
CID 79890123
2-N-[(2-methylcyclopentyl)methyl]-1,3-benzoxazole-2,5-diamine
CID 107416631
6-[(5-amino-1,3-benzoxazol-2-yl)amino]hexan-1-ol
CID 107844096
2-N-[(1-ethylpiperidin-4-yl)methyl]-1,3-benzoxazole-2,5-diamine
CID 79890198
2-[3-[(5-amino-1,3-benzoxazol-2-yl)amino]propoxy]ethanol
CID 106308929
N-(2-cyclopentylethyl)-6-nitro-1,3-benzoxazol-2-amine
CID 79881137
N-[2-[(5-amino-1,3-benzoxazol-2-yl)amino]ethyl]methanesulfonamide
CID 79885842
2-N-(1,4-dithian-2-ylmethyl)-1,3-benzoxazole-2,5-diamine
CID 113489297
2-N-(1-cyclohexylethyl)-1,3-benzoxazole-2,5-diamine
CID 79891040

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine?
The IUPAC name of 2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine (CID 79884557) is 2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine?
The canonical SMILES for 2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine is Nc1ccc2oc(NCCC3CCCC3)nc2c1.
What is the InChIKey of 2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine?
The InChIKey is QMVSFYQBEQVYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-11-5-6-13-12(9-11)17-14(18-13)16-8-7-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8,15H2,(H,16,17).
What are the key properties of 2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine?
2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine has a molecular weight of 245.33 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclopentylethyl)-1,3-benzoxazole-2,5-diamine is sourced from PubChem (CID 79884557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).