5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one

C10H12N2O2 — CID 82230003

IUPAC5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one
SMILESCC(C)c1cc(N)cc2[nH]c(=O)oc12
InChIInChI=1S/C10H12N2O2/c1-5(2)7-3-6(11)4-8-9(7)14-10(13)12-8/h3-5H,11H2,1-2H3,(H,12,13)
InChIKeyMFZLDUPONLECEC-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.83
Rot. Bonds1

About 5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one

5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one (PubChem CID 82230003) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one
PubChem CID82230003
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one
SMILESCC(C)c1cc(N)cc2[nH]c(=O)oc12
InChIInChI=1S/C10H12N2O2/c1-5(2)7-3-6(11)4-8-9(7)14-10(13)12-8/h3-5H,11H2,1-2H3,(H,12,13)
InChIKeyMFZLDUPONLECEC-UHFFFAOYSA-N
XLogP1.83
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one (CID 82230003) is 5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one is CC(C)c1cc(N)cc2[nH]c(=O)oc12.
What is the InChIKey of 5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one?
The InChIKey is MFZLDUPONLECEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-5(2)7-3-6(11)4-8-9(7)14-10(13)12-8/h3-5H,11H2,1-2H3,(H,12,13).
What are the key properties of 5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one?
5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one has a molecular weight of 192.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-propan-2-yl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 82230003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).