trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane

C14H12N2O4S — CID 20610515

IUPACtrihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane
SMILESCc1nc2cc3c(cc2o1)[nH]c1ccc(S(O)(O)O)cc13
InChIInChI=1S/C14H12N2O4S/c1-7-15-13-5-10-9-4-8(21(17,18)19)2-3-11(9)16-12(10)6-14(13)20-7/h2-6,16-19H,1H3
InChIKeyUCHBCMSHUPIALT-UHFFFAOYSA-N
MW304.33 g/mol
LogP4.35
Rot. Bonds1

About trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane

trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane (PubChem CID 20610515) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane.

Molecular Properties

Compound Nametrihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane
PubChem CID20610515
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Nametrihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane
SMILESCc1nc2cc3c(cc2o1)[nH]c1ccc(S(O)(O)O)cc13
InChIInChI=1S/C14H12N2O4S/c1-7-15-13-5-10-9-4-8(21(17,18)19)2-3-11(9)16-12(10)6-14(13)20-7/h2-6,16-19H,1H3
InChIKeyUCHBCMSHUPIALT-UHFFFAOYSA-N
XLogP4.35
TPSA102.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane?
The IUPAC name of trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane (CID 20610515) is trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane.
What is the SMILES notation for trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane?
The canonical SMILES for trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane is Cc1nc2cc3c(cc2o1)[nH]c1ccc(S(O)(O)O)cc13.
What is the InChIKey of trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane?
The InChIKey is UCHBCMSHUPIALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-7-15-13-5-10-9-4-8(21(17,18)19)2-3-11(9)16-12(10)6-14(13)20-7/h2-6,16-19H,1H3.
What are the key properties of trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane?
trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane has a molecular weight of 304.33 g/mol, XLogP of 4.35, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane is sourced from PubChem (CID 20610515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).