3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine

C11H8ClN3O — CID 136985599

IUPAC3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc3ccc(Cl)cc3[nH]2)no1
InChIInChI=1S/C11H8ClN3O/c12-7-2-1-6-3-9(14-8(6)4-7)10-5-11(13)16-15-10/h1-5,14H,13H2
InChIKeySFDVOHPDPRWVDR-UHFFFAOYSA-N
MW233.66 g/mol
LogP3.06
Rot. Bonds1

About 3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine

3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine (PubChem CID 136985599) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine
PubChem CID136985599
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc3ccc(Cl)cc3[nH]2)no1
InChIInChI=1S/C11H8ClN3O/c12-7-2-1-6-3-9(14-8(6)4-7)10-5-11(13)16-15-10/h1-5,14H,13H2
InChIKeySFDVOHPDPRWVDR-UHFFFAOYSA-N
XLogP3.06
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 168282108
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-phenyl-1h-3-indolyl)-4-isoxazolecarboxamide
CID 73353411
13-Chloro-4-oxa-3,17-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,5,11(16),12,14-hexaene
CID 136068375
Indolyl-isoxazole
CID 136465438
3-(2-chlorophenyl)-5-methyl-N-(2-phenyl-1h-3-indolyl)-4-isoxazolecarboxamide
CID 129783749
5-Amino-3-(1h-indol-2-yl)isoxazole-4-carbonitrile
CID 171115248
3-[1-Methyl-7-(trifluoromethyl)indol-2-yl]-1,2-oxazol-5-amine
CID 115107608
3-(7-Fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine
CID 115107640
3-(6-Fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine
CID 115107717
3-(5-Fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine
CID 115107793
3-(4-Fluoro-1-methylindol-2-yl)-1,2-oxazol-5-amine
CID 115107869
3-(5-fluoro-2-methyl-1H-indol-6-yl)-1,2-oxazol-5-amine
CID 117333777

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine (CID 136985599) is 3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine is Nc1cc(-c2cc3ccc(Cl)cc3[nH]2)no1.
What is the InChIKey of 3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine?
The InChIKey is SFDVOHPDPRWVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-7-2-1-6-3-9(14-8(6)4-7)10-5-11(13)16-15-10/h1-5,14H,13H2.
What are the key properties of 3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine?
3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine has a molecular weight of 233.66 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 136985599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).