1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one

C10H10N2O2 — CID 15750383

IUPAC1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one
SMILESCCC(=O)c1ccc2oc(N)nc2c1
InChIInChI=1S/C10H10N2O2/c1-2-8(13)6-3-4-9-7(5-6)12-10(11)14-9/h3-5H,2H2,1H3,(H2,11,12)
InChIKeyZCTISRZSDWQDPQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.00
Rot. Bonds2

About 1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one

1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one (PubChem CID 15750383) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one
PubChem CID15750383
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one
SMILESCCC(=O)c1ccc2oc(N)nc2c1
InChIInChI=1S/C10H10N2O2/c1-2-8(13)6-3-4-9-7(5-6)12-10(11)14-9/h3-5H,2H2,1H3,(H2,11,12)
InChIKeyZCTISRZSDWQDPQ-UHFFFAOYSA-N
XLogP2.00
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648
1-(2-thiophen-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299953
1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one
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1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]propan-1-one
CID 82305496
1-(1,3-benzoxazol-5-yl)propan-1-one
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2-bromo-1-(2-ethyl-1,3-benzoxazol-5-yl)ethanone
CID 131465087
5-propyl-1,3-benzoxazol-2-amine
CID 62548389
CID 89212359
CID 89212359
1-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylbutan-1-one
CID 82289175
2-bromo-1-(2-bromo-1,3-benzoxazol-5-yl)ethanone
CID 131125591
2-(1-hydroxyethyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358691
1-(2-methyl-1,3-benzoxazol-5-yl)-2-methylsulfanylethanone
CID 116830140

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one?
The IUPAC name of 1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one (CID 15750383) is 1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one?
The canonical SMILES for 1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one is CCC(=O)c1ccc2oc(N)nc2c1.
What is the InChIKey of 1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one?
The InChIKey is ZCTISRZSDWQDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-8(13)6-3-4-9-7(5-6)12-10(11)14-9/h3-5H,2H2,1H3,(H2,11,12).
What are the key properties of 1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one?
1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one has a molecular weight of 190.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one is sourced from PubChem (CID 15750383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).