(2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone

C13H14N2O3 — CID 116919555

IUPAC(2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone
SMILESCc1nc2ccc(C(=O)C3CNCCO3)cc2o1
InChIInChI=1S/C13H14N2O3/c1-8-15-10-3-2-9(6-11(10)18-8)13(16)12-7-14-4-5-17-12/h2-3,6,12,14H,4-5,7H2,1H3
InChIKeySSMTVHHWJBBEEF-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.31
Rot. Bonds2

About (2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone

(2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone (PubChem CID 116919555) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone.

Molecular Properties

Compound Name(2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone
PubChem CID116919555
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone
SMILESCc1nc2ccc(C(=O)C3CNCCO3)cc2o1
InChIInChI=1S/C13H14N2O3/c1-8-15-10-3-2-9(6-11(10)18-8)13(16)12-7-14-4-5-17-12/h2-3,6,12,14H,4-5,7H2,1H3
InChIKeySSMTVHHWJBBEEF-UHFFFAOYSA-N
XLogP1.31
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 82491485
(3-hydroxyphenyl)-morpholin-2-ylmethanone
CID 84675045
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
(4-methylsulfonylphenyl)-morpholin-2-ylmethanone
CID 116919550
N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1-morpholin-2-ylmethanamine
CID 115237653
(4-ethoxyphenyl)-morpholin-2-ylmethanone
CID 116561587
(5-fluoro-3-pyridinyl)-morpholin-2-ylmethanone
CID 116561776
(2-methylphenyl)-morpholin-2-ylmethanone
CID 84673271
2,2-dimethyl-3-(2-methyl-1,3-benzoxazol-6-yl)-3-oxopropanoic acid
CID 116918123
6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole
CID 84672190
morpholin-2-yl-(4-propoxyphenyl)methanone
CID 116561682
2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone
CID 82495046

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone?
The IUPAC name of (2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone (CID 116919555) is (2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone.
What is the SMILES notation for (2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone?
The canonical SMILES for (2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone is Cc1nc2ccc(C(=O)C3CNCCO3)cc2o1.
What is the InChIKey of (2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone?
The InChIKey is SSMTVHHWJBBEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-15-10-3-2-9(6-11(10)18-8)13(16)12-7-14-4-5-17-12/h2-3,6,12,14H,4-5,7H2,1H3.
What are the key properties of (2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone?
(2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone has a molecular weight of 246.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone is sourced from PubChem (CID 116919555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).