2-ethyl-5-fluoro-1,3-benzoxazol-6-amine

C9H9FN2O — CID 70639293

IUPAC2-ethyl-5-fluoro-1,3-benzoxazol-6-amine
SMILESCCc1nc2cc(F)c(N)cc2o1
InChIInChI=1S/C9H9FN2O/c1-2-9-12-7-3-5(10)6(11)4-8(7)13-9/h3-4H,2,11H2,1H3
InChIKeyUZAYILDGJAIQKR-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.11
Rot. Bonds1

About 2-ethyl-5-fluoro-1,3-benzoxazol-6-amine

2-ethyl-5-fluoro-1,3-benzoxazol-6-amine (PubChem CID 70639293) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-ethyl-5-fluoro-1,3-benzoxazol-6-amine
PubChem CID70639293
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name2-ethyl-5-fluoro-1,3-benzoxazol-6-amine
SMILESCCc1nc2cc(F)c(N)cc2o1
InChIInChI=1S/C9H9FN2O/c1-2-9-12-7-3-5(10)6(11)4-8(7)13-9/h3-4H,2,11H2,1H3
InChIKeyUZAYILDGJAIQKR-UHFFFAOYSA-N
XLogP2.11
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-5-fluoro-1,3-benzoxazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-N,2-N-dimethyl-1,3-benzoxazole-2,6-diamine
CID 89370463
2-ethyl-4-fluoro-1,3-benzoxazol-6-amine
CID 178076607
2-(2,2-dimethylpropyl)-5,6-difluoro-1,3-benzoxazole
CID 82231164
5-chloro-2-(2,2-dimethylpropyl)-1,3-benzoxazol-6-amine
CID 115539596
(6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol
CID 91636106
2-ethyl-5-methylsulfanyl-1,3-benzoxazole
CID 131029020
2-ethyl-1,3-benzoxazol-7-amine
CID 28752253
2-ethyl-1,3-benzoxazole-5-thiol
CID 131010364
6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole
CID 82231943
3-[(2-ethyl-1,3-benzoxazol-5-yl)oxy]propan-1-amine
CID 117098165
2-ethyl-1,3-benzoxazole
CID 23239
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-fluoro-1,3-benzoxazol-6-amine?
The IUPAC name of 2-ethyl-5-fluoro-1,3-benzoxazol-6-amine (CID 70639293) is 2-ethyl-5-fluoro-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-ethyl-5-fluoro-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-ethyl-5-fluoro-1,3-benzoxazol-6-amine is CCc1nc2cc(F)c(N)cc2o1.
What is the InChIKey of 2-ethyl-5-fluoro-1,3-benzoxazol-6-amine?
The InChIKey is UZAYILDGJAIQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-2-9-12-7-3-5(10)6(11)4-8(7)13-9/h3-4H,2,11H2,1H3.
What are the key properties of 2-ethyl-5-fluoro-1,3-benzoxazol-6-amine?
2-ethyl-5-fluoro-1,3-benzoxazol-6-amine has a molecular weight of 180.18 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-fluoro-1,3-benzoxazol-6-amine is sourced from PubChem (CID 70639293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).