[5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine

C13H12FN3O — CID 82385260

IUPAC[5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine
SMILESCn1c(-c2cnc(CN)o2)cc2ccc(F)cc21
InChIInChI=1S/C13H12FN3O/c1-17-10-5-9(14)3-2-8(10)4-11(17)12-7-16-13(6-15)18-12/h2-5,7H,6,15H2,1H3
InChIKeyBKBJHVCUTFLREH-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.43
Rot. Bonds2

About [5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine

[5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine (PubChem CID 82385260) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is [5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine
PubChem CID82385260
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name[5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine
SMILESCn1c(-c2cnc(CN)o2)cc2ccc(F)cc21
InChIInChI=1S/C13H12FN3O/c1-17-10-5-9(14)3-2-8(10)4-11(17)12-7-16-13(6-15)18-12/h2-5,7H,6,15H2,1H3
InChIKeyBKBJHVCUTFLREH-UHFFFAOYSA-N
XLogP2.43
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine
CID 115107730
5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 115109340
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229
[4-methyl-5-(1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine
CID 82387350
[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine
CID 113292812
3-(2-aminoethyl)-7-fluoro-1-methylquinolin-2-one
CID 115031918
5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine
CID 115108043
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one
CID 84623500
6-fluoro-1-methylindole-2-carboxamide
CID 4777701
(5-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 50988488
[5-(2-fluoropropan-2-yl)-1,3-oxazol-2-yl]methanamine
CID 84764000

Frequently Asked Questions

What is the IUPAC name of [5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine (CID 82385260) is [5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine is Cn1c(-c2cnc(CN)o2)cc2ccc(F)cc21.
What is the InChIKey of [5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is BKBJHVCUTFLREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-17-10-5-9(14)3-2-8(10)4-11(17)12-7-16-13(6-15)18-12/h2-5,7H,6,15H2,1H3.
What are the key properties of [5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine?
[5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 245.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 82385260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).