(1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid

C13H12N2O4 — CID 122698425

IUPAC(1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid
SMILESCC1(C)OC(=O)c2cc3cc(NC(=O)O)ccc3n21
InChIInChI=1S/C13H12N2O4/c1-13(2)15-9-4-3-8(14-12(17)18)5-7(9)6-10(15)11(16)19-13/h3-6,14H,1-2H3,(H,17,18)
InChIKeyNCYUCCXVNBSGNQ-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.59
Rot. Bonds1

About (1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid

(1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid (PubChem CID 122698425) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is (1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid.

Molecular Properties

Compound Name(1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid
PubChem CID122698425
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name(1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid
SMILESCC1(C)OC(=O)c2cc3cc(NC(=O)O)ccc3n21
InChIInChI=1S/C13H12N2O4/c1-13(2)15-9-4-3-8(14-12(17)18)5-7(9)6-10(15)11(16)19-13/h3-6,14H,1-2H3,(H,17,18)
InChIKeyNCYUCCXVNBSGNQ-UHFFFAOYSA-N
XLogP2.59
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid?
The IUPAC name of (1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid (CID 122698425) is (1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid.
What is the SMILES notation for (1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid?
The canonical SMILES for (1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid is CC1(C)OC(=O)c2cc3cc(NC(=O)O)ccc3n21.
What is the InChIKey of (1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid?
The InChIKey is NCYUCCXVNBSGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-13(2)15-9-4-3-8(14-12(17)18)5-7(9)6-10(15)11(16)19-13/h3-6,14H,1-2H3,(H,17,18).
What are the key properties of (1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid?
(1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid has a molecular weight of 260.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dimethyl-3-oxo-[1,3]oxazolo[3,4-a]indol-6-yl)carbamic acid is sourced from PubChem (CID 122698425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).