1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one

C10H10N2O2 — CID 116859715

IUPAC1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one
SMILESCC(=O)C(N)c1ccc2ncoc2c1
InChIInChI=1S/C10H10N2O2/c1-6(13)10(11)7-2-3-8-9(4-7)14-5-12-8/h2-5,10H,11H2,1H3
InChIKeyKRLDAKYMDOHMTK-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.42
Rot. Bonds2

About 1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one

1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one (PubChem CID 116859715) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one
PubChem CID116859715
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one
SMILESCC(=O)C(N)c1ccc2ncoc2c1
InChIInChI=1S/C10H10N2O2/c1-6(13)10(11)7-2-3-8-9(4-7)14-5-12-8/h2-5,10H,11H2,1H3
InChIKeyKRLDAKYMDOHMTK-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-4-(1,3-benzoxazol-6-yl)-3-methylbutanoic acid
CID 116938203
6-propan-2-yl-1,3-benzoxazole
CID 21354846
2-amino-2-(1,3-benzoxazol-6-yl)ethanol
CID 82599704
1-(1,3-benzoxazol-6-yl)-1-hydroxy-3-methylbutan-2-one
CID 116836015
2-(1,3-benzoxazol-6-yl)propan-1-ol
CID 117277502
1,3-benzoxazol-6-yl(methylamino)methanethiol
CID 116954549
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
methyl 2-(1,3-benzoxazol-6-yl)-2-pyrrolidin-1-ylacetate
CID 116860541
3-(1,3-benzoxazol-6-yl)-3-(dimethylamino)-2,2-dimethylpropanoic acid
CID 116907995
1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine
CID 116935891
1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine
CID 116932975
1,3-benzoxazole-6-carboxamide
CID 22245908

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one?
The IUPAC name of 1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one (CID 116859715) is 1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one.
What is the SMILES notation for 1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one?
The canonical SMILES for 1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one is CC(=O)C(N)c1ccc2ncoc2c1.
What is the InChIKey of 1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one?
The InChIKey is KRLDAKYMDOHMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6(13)10(11)7-2-3-8-9(4-7)14-5-12-8/h2-5,10H,11H2,1H3.
What are the key properties of 1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one?
1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one has a molecular weight of 190.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one is sourced from PubChem (CID 116859715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).