3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine

C12H10FN3O — CID 115107793

IUPAC3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine
SMILESCn1c(-c2cc(N)on2)cc2cc(F)ccc21
InChIInChI=1S/C12H10FN3O/c1-16-10-3-2-8(13)4-7(10)5-11(16)9-6-12(14)17-15-9/h2-6H,14H2,1H3
InChIKeyADMMNQMDGZWGIG-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.55
Rot. Bonds1

About 3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine

3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine (PubChem CID 115107793) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine
PubChem CID115107793
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine
SMILESCn1c(-c2cc(N)on2)cc2cc(F)ccc21
InChIInChI=1S/C12H10FN3O/c1-16-10-3-2-8(13)4-7(10)5-11(16)9-6-12(14)17-15-9/h2-6H,14H2,1H3
InChIKeyADMMNQMDGZWGIG-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

N-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide
CID 25033812
4-(6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 168281504
5-(3-Fluorophenyl)-3-(1-methylindol-2-yl)-1,2-oxazole
CID 71452843
3-{[2-(5-Methyl-1,2-oxazol-3-YL)pyrrolidin-1-YL]methyl}-1-(propan-2-YL)-1H-indole
CID 50809404
1-Ethyl-3-({2-[5-(propan-2-YL)-1,2-oxazol-3-YL]pyrrolidin-1-YL}methyl)-1H-indole
CID 50809403
Indolyl-isoxazole
CID 136465438
2-(3,5-dimethylisoxazol-4-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methylacetamide
CID 131946360
2-[5-fluoro-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-N,N-dimethylpropanamide
CID 20270125
5-ethyl-4-(5-fluoro-1H-indol-2-yl)-3-methyl-1,2-oxazole
CID 20428381
4-(5-fluoro-1H-indol-2-yl)-3,5-dimethyl-1,2-oxazole
CID 20428403
3-ethyl-4-(5-fluoro-1H-indol-2-yl)-5-methyl-1,2-oxazole
CID 20428431
4-(5-fluoro-1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole
CID 23325476

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine (CID 115107793) is 3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine is Cn1c(-c2cc(N)on2)cc2cc(F)ccc21.
What is the InChIKey of 3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine?
The InChIKey is ADMMNQMDGZWGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-16-10-3-2-8(13)4-7(10)5-11(16)9-6-12(14)17-15-9/h2-6H,14H2,1H3.
What are the key properties of 3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine?
3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-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 3-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 115107793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).