1,3-benzoxazol-6-yl(morpholin-3-yl)methanone

C12H12N2O3 — CID 116919637

IUPAC1,3-benzoxazol-6-yl(morpholin-3-yl)methanone
SMILESO=C(c1ccc2ncoc2c1)C1COCCN1
InChIInChI=1S/C12H12N2O3/c15-12(10-6-16-4-3-13-10)8-1-2-9-11(5-8)17-7-14-9/h1-2,5,7,10,13H,3-4,6H2
InChIKeyQTHKOVXIQOKGKD-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.00
Rot. Bonds2

About 1,3-benzoxazol-6-yl(morpholin-3-yl)methanone

1,3-benzoxazol-6-yl(morpholin-3-yl)methanone (PubChem CID 116919637) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1,3-benzoxazol-6-yl(morpholin-3-yl)methanone.

Molecular Properties

Compound Name1,3-benzoxazol-6-yl(morpholin-3-yl)methanone
PubChem CID116919637
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1,3-benzoxazol-6-yl(morpholin-3-yl)methanone
SMILESO=C(c1ccc2ncoc2c1)C1COCCN1
InChIInChI=1S/C12H12N2O3/c15-12(10-6-16-4-3-13-10)8-1-2-9-11(5-8)17-7-14-9/h1-2,5,7,10,13H,3-4,6H2
InChIKeyQTHKOVXIQOKGKD-UHFFFAOYSA-N
XLogP1.00
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethoxyphenyl)-morpholin-3-ylmethanone
CID 116576412
(1,2-dimethylbenzimidazol-5-yl)-morpholin-3-ylmethanone
CID 116919643
(3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone
CID 116576254
1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine
CID 116941514
[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone
CID 116919590
(2-amino-5-methyl-3-pyridinyl)-morpholin-3-ylmethanone
CID 116576396
1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoroethanone
CID 116836453
1,3-benzoxazole-6-carboxylic acid;2,2,2-trifluoroacetic acid
CID 138543085
1-benzofuran-3-yl(morpholin-3-yl)methanone
CID 116919658
N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
CID 119842871
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-morpholin-3-ylmethanone
CID 116919627
methyl 1-(1,3-benzoxazole-6-carbonyl)cyclopropane-1-carboxylate
CID 116922168

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-6-yl(morpholin-3-yl)methanone?
The IUPAC name of 1,3-benzoxazol-6-yl(morpholin-3-yl)methanone (CID 116919637) is 1,3-benzoxazol-6-yl(morpholin-3-yl)methanone.
What is the SMILES notation for 1,3-benzoxazol-6-yl(morpholin-3-yl)methanone?
The canonical SMILES for 1,3-benzoxazol-6-yl(morpholin-3-yl)methanone is O=C(c1ccc2ncoc2c1)C1COCCN1.
What is the InChIKey of 1,3-benzoxazol-6-yl(morpholin-3-yl)methanone?
The InChIKey is QTHKOVXIQOKGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-12(10-6-16-4-3-13-10)8-1-2-9-11(5-8)17-7-14-9/h1-2,5,7,10,13H,3-4,6H2.
What are the key properties of 1,3-benzoxazol-6-yl(morpholin-3-yl)methanone?
1,3-benzoxazol-6-yl(morpholin-3-yl)methanone has a molecular weight of 232.24 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-6-yl(morpholin-3-yl)methanone is sourced from PubChem (CID 116919637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).