5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one

C9H12N2O2 — CID 123560061

IUPAC5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one
SMILESCN(C)C1C=c2[nH]c(=O)oc2=CC1
InChIInChI=1S/C9H12N2O2/c1-11(2)6-3-4-8-7(5-6)10-9(12)13-8/h4-6H,3H2,1-2H3,(H,10,12)
InChIKeyDTBPEPXYSOXOMU-UHFFFAOYSA-N
MW180.21 g/mol
LogP-1.14
Rot. Bonds1

About 5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one

5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one (PubChem CID 123560061) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one
PubChem CID123560061
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one
SMILESCN(C)C1C=c2[nH]c(=O)oc2=CC1
InChIInChI=1S/C9H12N2O2/c1-11(2)6-3-4-8-7(5-6)10-9(12)13-8/h4-6H,3H2,1-2H3,(H,10,12)
InChIKeyDTBPEPXYSOXOMU-UHFFFAOYSA-N
XLogP-1.14
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one (CID 123560061) is 5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one is CN(C)C1C=c2[nH]c(=O)oc2=CC1.
What is the InChIKey of 5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one?
The InChIKey is DTBPEPXYSOXOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(2)6-3-4-8-7(5-6)10-9(12)13-8/h4-6H,3H2,1-2H3,(H,10,12).
What are the key properties of 5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one?
5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one has a molecular weight of 180.21 g/mol, XLogP of -1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-5,6-dihydro-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 123560061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).