methane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol

C41H44N8O6 — CID 159377332

IUPACmethane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol
SMILESC.Oc1ccc2[nH]cc(CCCc3ncco3)c2c1.Oc1ccc2[nH]cc(CCNc3ccno3)c2c1.Oc1ccc2[nH]cc(CCNc3ccon3)c2c1
InChIInChI=1S/C14H14N2O2.2C13H13N3O2.CH4/c17-11-4-5-13-12(8-11)10(9-16-13)2-1-3-14-15-6-7-18-14;17-10-1-2-12-11(7-10)9(8-15-12)3-5-14-13-4-6-18-16-13;17-10-1-2-12-11(7-10)9(8-15-12)3-5-14-13-4-6-16-18-13;/h4-9,16-17H,1-3H2;1-2,4,6-8,15,17H,3,5H2,(H,14,16);1-2,4,6-8,14-15,17H,3,5H2;1H4
InChIKeyLKMDSQAZNPWVDX-UHFFFAOYSA-N
MW744.85 g/mol
LogP8.71
Rot. Bonds12

About methane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol

methane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol (PubChem CID 159377332) has the molecular formula C41H44N8O6 and a molecular weight of 744.85 g/mol. Its IUPAC name is methane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol.

Molecular Properties

Compound Namemethane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol
PubChem CID159377332
Molecular FormulaC41H44N8O6
Molecular Weight744.85 g/mol
Exact Mass744.34
IUPAC Namemethane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol
SMILESC.Oc1ccc2[nH]cc(CCCc3ncco3)c2c1.Oc1ccc2[nH]cc(CCNc3ccno3)c2c1.Oc1ccc2[nH]cc(CCNc3ccon3)c2c1
InChIInChI=1S/C14H14N2O2.2C13H13N3O2.CH4/c17-11-4-5-13-12(8-11)10(9-16-13)2-1-3-14-15-6-7-18-14;17-10-1-2-12-11(7-10)9(8-15-12)3-5-14-13-4-6-18-16-13;17-10-1-2-12-11(7-10)9(8-15-12)3-5-14-13-4-6-16-18-13;/h4-9,16-17H,1-3H2;1-2,4,6-8,15,17H,3,5H2,(H,14,16);1-2,4,6-8,14-15,17H,3,5H2;1H4
InChIKeyLKMDSQAZNPWVDX-UHFFFAOYSA-N
XLogP8.71
TPSA210.21 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500744.85
LogP ≤ 58.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze methane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol?
The IUPAC name of methane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol (CID 159377332) is methane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol.
What is the SMILES notation for methane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol?
The canonical SMILES for methane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol is C.Oc1ccc2[nH]cc(CCCc3ncco3)c2c1.Oc1ccc2[nH]cc(CCNc3ccno3)c2c1.Oc1ccc2[nH]cc(CCNc3ccon3)c2c1.
What is the InChIKey of methane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol?
The InChIKey is LKMDSQAZNPWVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2.2C13H13N3O2.CH4/c17-11-4-5-13-12(8-11)10(9-16-13)2-1-3-14-15-6-7-18-14;17-10-1-2-12-11(7-10)9(8-15-12)3-5-14-13-4-6-18-16-13;17-10-1-2-12-11(7-10)9(8-15-12)3-5-14-13-4-6-16-18-13;/h4-9,16-17H,1-3H2;1-2,4,6-8,15,17H,3,5H2,(H,14,16);1-2,4,6-8,14-15,17H,3,5H2;1H4.
What are the key properties of methane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol?
methane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol has a molecular weight of 744.85 g/mol, XLogP of 8.71, 12 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-[2-(1,2-oxazol-3-ylamino)ethyl]-1H-indol-5-ol;3-[2-(1,2-oxazol-5-ylamino)ethyl]-1H-indol-5-ol;3-[3-(1,3-oxazol-2-yl)propyl]-1H-indol-5-ol is sourced from PubChem (CID 159377332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).