2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine

C11H13FN2O — CID 79799236

IUPAC2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc2cc(F)ccc2o1
InChIInChI=1S/C11H13FN2O/c1-3-11(2,13)10-14-8-6-7(12)4-5-9(8)15-10/h4-6H,3,13H2,1-2H3
InChIKeyUPYPBECTTVXSJP-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.55
Rot. Bonds2

About 2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine

2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine (PubChem CID 79799236) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine
PubChem CID79799236
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc2cc(F)ccc2o1
InChIInChI=1S/C11H13FN2O/c1-3-11(2,13)10-14-8-6-7(12)4-5-9(8)15-10/h4-6H,3,13H2,1-2H3
InChIKeyUPYPBECTTVXSJP-UHFFFAOYSA-N
XLogP2.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine
CID 64792869
2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
CID 63676578
5-fluoro-2-propyl-1,3-benzoxazole
CID 82229772
1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol
CID 175567545
5-tert-butyl-2-(3-methylpentan-3-yl)-1,3-benzoxazole
CID 122642760
2-ethyl-2-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]butan-1-amine
CID 115430669
1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 64793422
2-(6-fluoro-1-methylbenzimidazol-2-yl)butan-2-amine
CID 79799093
2-(5-fluoro-1,3-benzoxazol-2-yl)-3-methylbutan-1-amine
CID 65222198
2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine
CID 115430668
2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-2-methylpropanoic acid
CID 83842670
4-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylbutan-1-amine
CID 82687985

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine?
The IUPAC name of 2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine (CID 79799236) is 2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine is CCC(C)(N)c1nc2cc(F)ccc2o1.
What is the InChIKey of 2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine?
The InChIKey is UPYPBECTTVXSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-3-11(2,13)10-14-8-6-7(12)4-5-9(8)15-10/h4-6H,3,13H2,1-2H3.
What are the key properties of 2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine?
2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine has a molecular weight of 208.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine is sourced from PubChem (CID 79799236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).