2-ethyl-4-fluoro-1,3-benzoxazol-6-amine

C9H9FN2O — CID 178076607

IUPAC2-ethyl-4-fluoro-1,3-benzoxazol-6-amine
SMILESCCc1nc2c(F)cc(N)cc2o1
InChIInChI=1S/C9H9FN2O/c1-2-8-12-9-6(10)3-5(11)4-7(9)13-8/h3-4H,2,11H2,1H3
InChIKeyAASKGKFHOCEBJU-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.11
Rot. Bonds1

About 2-ethyl-4-fluoro-1,3-benzoxazol-6-amine

2-ethyl-4-fluoro-1,3-benzoxazol-6-amine (PubChem CID 178076607) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-ethyl-4-fluoro-1,3-benzoxazol-6-amine
PubChem CID178076607
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name2-ethyl-4-fluoro-1,3-benzoxazol-6-amine
SMILESCCc1nc2c(F)cc(N)cc2o1
InChIInChI=1S/C9H9FN2O/c1-2-8-12-9-6(10)3-5(11)4-7(9)13-8/h3-4H,2,11H2,1H3
InChIKeyAASKGKFHOCEBJU-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'}

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Related Compounds

2-ethyl-5-fluoro-1,3-benzoxazol-6-amine
CID 70639293
4,6-dichloro-2-ethyl-1,3-benzoxazol-5-amine
CID 82231354
CID 167501058
CID 167501058
2-ethyl-4-methyl-1,3-benzoxazole-6-thiol
CID 142292435
2-ethyl-7-fluoro-3H-benzimidazol-5-amine
CID 83696004
2-butyl-4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
CID 156778629
2,6-ditert-butyl-4-fluoro-1,3-benzoxazole
CID 134411036
2-(2,2-dimethylpropyl)-5,6-difluoro-1,3-benzoxazole
CID 82231164
4-(4,6-difluoro-1,3-benzoxazol-2-yl)aniline
CID 163367418
2-ethyl-N-[(2-fluorophenyl)methyl]-1,3-benzoxazol-5-amine
CID 60930795
2-ethyl-5-methylsulfanyl-1,3-benzoxazole
CID 131029020
7-amino-3,4,5-trifluorochromen-2-one
CID 87063496

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-1,3-benzoxazol-6-amine?
The IUPAC name of 2-ethyl-4-fluoro-1,3-benzoxazol-6-amine (CID 178076607) is 2-ethyl-4-fluoro-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-ethyl-4-fluoro-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-ethyl-4-fluoro-1,3-benzoxazol-6-amine is CCc1nc2c(F)cc(N)cc2o1.
What is the InChIKey of 2-ethyl-4-fluoro-1,3-benzoxazol-6-amine?
The InChIKey is AASKGKFHOCEBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-2-8-12-9-6(10)3-5(11)4-7(9)13-8/h3-4H,2,11H2,1H3.
What are the key properties of 2-ethyl-4-fluoro-1,3-benzoxazol-6-amine?
2-ethyl-4-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-4-fluoro-1,3-benzoxazol-6-amine is sourced from PubChem (CID 178076607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).