5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine

C12H10FN3O — CID 82390701

IUPAC5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine
SMILESCn1c(-c2oncc2N)cc2c(F)cccc21
InChIInChI=1S/C12H10FN3O/c1-16-10-4-2-3-8(13)7(10)5-11(16)12-9(14)6-15-17-12/h2-6H,14H2,1H3
InChIKeyNDXOWUBFHYPSAZ-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.55
Rot. Bonds1

About 5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine

5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine (PubChem CID 82390701) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine
PubChem CID82390701
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine
SMILESCn1c(-c2oncc2N)cc2c(F)cccc21
InChIInChI=1S/C12H10FN3O/c1-16-10-4-2-3-8(13)7(10)5-11(16)12-9(14)6-15-17-12/h2-6H,14H2,1H3
InChIKeyNDXOWUBFHYPSAZ-UHFFFAOYSA-N
XLogP2.55
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine
CID 115004731
3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine
CID 115107883
5-(4-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
CID 115109718
5-(6-bromo-1-methylindol-2-yl)-1,2-oxazol-4-amine
CID 115109324
5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108105
5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine
CID 136986148
ethyl 4-fluoro-1-methylindole-2-carboxylate
CID 171397337
8-fluoro-9-methylpyrido[3,4-b]indol-3-amine
CID 115029021
2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol
CID 137016984
5-(3-chlorophenyl)-1,2-oxazol-4-amine
CID 82400734
5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
2-(4-fluoro-1-methylindol-2-yl)acetaldehyde
CID 117194443

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine?
The IUPAC name of 5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine (CID 82390701) is 5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine.
What is the SMILES notation for 5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine?
The canonical SMILES for 5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine is Cn1c(-c2oncc2N)cc2c(F)cccc21.
What is the InChIKey of 5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine?
The InChIKey is NDXOWUBFHYPSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-16-10-4-2-3-8(13)7(10)5-11(16)12-9(14)6-15-17-12/h2-6H,14H2,1H3.
What are the key properties of 5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine?
5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine has a molecular weight of 231.23 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine is sourced from PubChem (CID 82390701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).