4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine

C12H13N3O2 — CID 117334117

IUPAC4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine
SMILESCN1CCOc2cc(-c3cnoc3N)ccc21
InChIInChI=1S/C12H13N3O2/c1-15-4-5-16-11-6-8(2-3-10(11)15)9-7-14-17-12(9)13/h2-3,6-7H,4-5,13H2,1H3
InChIKeyWHYNGKNSDVVUOQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.75
Rot. Bonds1

About 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine

4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine (PubChem CID 117334117) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine
PubChem CID117334117
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine
SMILESCN1CCOc2cc(-c3cnoc3N)ccc21
InChIInChI=1S/C12H13N3O2/c1-15-4-5-16-11-6-8(2-3-10(11)15)9-7-14-17-12(9)13/h2-3,6-7H,4-5,13H2,1H3
InChIKeyWHYNGKNSDVVUOQ-UHFFFAOYSA-N
XLogP1.75
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117472714
4-methyl-7-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine
CID 25180102
4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117414139
7-(2-fluoro-4-propan-2-ylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 146618626
5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3H-1,3,4-oxadiazol-2-one
CID 146425104
4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine
CID 117314072
1-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)cyclopentan-1-amine
CID 96598649
4-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344229
4-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl-1,2-oxazol-5-amine
CID 117362249
1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
CID 117461675
4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine
CID 117396976
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine (CID 117334117) is 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine is CN1CCOc2cc(-c3cnoc3N)ccc21.
What is the InChIKey of 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine?
The InChIKey is WHYNGKNSDVVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-4-5-16-11-6-8(2-3-10(11)15)9-7-14-17-12(9)13/h2-3,6-7H,4-5,13H2,1H3.
What are the key properties of 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine?
4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine has a molecular weight of 231.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117334117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).