5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one

C13H17NO2 — CID 142177691

IUPAC5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one
SMILESCCCCc1cc2[nH]c(=O)oc2cc1CC
InChIInChI=1S/C13H17NO2/c1-3-5-6-10-7-11-12(8-9(10)4-2)16-13(15)14-11/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyFQRRRVWYMNBDIM-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.03
Rot. Bonds4

About 5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one

5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one (PubChem CID 142177691) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one
PubChem CID142177691
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one
SMILESCCCCc1cc2[nH]c(=O)oc2cc1CC
InChIInChI=1S/C13H17NO2/c1-3-5-6-10-7-11-12(8-9(10)4-2)16-13(15)14-11/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyFQRRRVWYMNBDIM-UHFFFAOYSA-N
XLogP3.03
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
hexane;5-methyl-3H-1,3-benzoxazol-2-one;molecular hydrogen
CID 143330462
6-amino-5-octoxy-3H-1,3-benzoxazol-2-one
CID 115425928
5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 169443599
6-(1-hydroxydecyl)-3H-1,3-benzoxazol-2-one
CID 65426000
6-amino-5-(hexan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113307409
6-(1-chlorodecyl)-3H-1,3-benzoxazol-2-one
CID 65426013
6-amino-5-(propylamino)-3H-1,3-benzoxazol-2-one
CID 115425024
5,6-difluoro-3H-1,3-benzoxazol-2-one
CID 11535637
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630
N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760690
6-butyl-1H-furo[3,2-d]pyrimidin-2-one
CID 69060553

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one (CID 142177691) is 5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one is CCCCc1cc2[nH]c(=O)oc2cc1CC.
What is the InChIKey of 5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one?
The InChIKey is FQRRRVWYMNBDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-5-6-10-7-11-12(8-9(10)4-2)16-13(15)14-11/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one?
5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one has a molecular weight of 219.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 142177691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).