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

C11H14N2O2 — CID 82095332

IUPAC7-amino-3-methyl-5-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)c1cc(N)c2oc(=O)n(C)c2c1
InChIInChI=1S/C11H14N2O2/c1-6(2)7-4-8(12)10-9(5-7)13(3)11(14)15-10/h4-6H,12H2,1-3H3
InChIKeyNDXUMOVCJIJSSQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.84
Rot. Bonds1

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

7-amino-3-methyl-5-propan-2-yl-1,3-benzoxazol-2-one (PubChem CID 82095332) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 7-amino-3-methyl-5-propan-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-amino-3-methyl-5-propan-2-yl-1,3-benzoxazol-2-one
PubChem CID82095332
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name7-amino-3-methyl-5-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)c1cc(N)c2oc(=O)n(C)c2c1
InChIInChI=1S/C11H14N2O2/c1-6(2)7-4-8(12)10-9(5-7)13(3)11(14)15-10/h4-6H,12H2,1-3H3
InChIKeyNDXUMOVCJIJSSQ-UHFFFAOYSA-N
XLogP1.84
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one
CID 84665255
5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one
CID 82095331
3-methyl-7-piperazin-1-yl-5-propan-2-yl-1,3-benzoxazol-2-one
CID 94980152
5-[amino(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116939680
5-[amino(bromo)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116947662
5-(1-amino-3-methylbutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82496350
5-amino-6-cyclopropyl-3-methyl-1,3-benzoxazol-2-one
CID 90953858
4-amino-6-fluoro-3-methyl-1,3-benzoxazol-2-one
CID 56688610
2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 116850801
5-(1,2-diamino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932683
5-propan-2-yl-1-benzofuran-7-amine
CID 146232668
6-(1-chloro-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62300717

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-methyl-5-propan-2-yl-1,3-benzoxazol-2-one?
The IUPAC name of 7-amino-3-methyl-5-propan-2-yl-1,3-benzoxazol-2-one (CID 82095332) is 7-amino-3-methyl-5-propan-2-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-amino-3-methyl-5-propan-2-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 7-amino-3-methyl-5-propan-2-yl-1,3-benzoxazol-2-one is CC(C)c1cc(N)c2oc(=O)n(C)c2c1.
What is the InChIKey of 7-amino-3-methyl-5-propan-2-yl-1,3-benzoxazol-2-one?
The InChIKey is NDXUMOVCJIJSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-6(2)7-4-8(12)10-9(5-7)13(3)11(14)15-10/h4-6H,12H2,1-3H3.
What are the key properties of 7-amino-3-methyl-5-propan-2-yl-1,3-benzoxazol-2-one?
7-amino-3-methyl-5-propan-2-yl-1,3-benzoxazol-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-methyl-5-propan-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 82095332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).