2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone

C14H16N2O3 — CID 54431192

IUPAC2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone
SMILESCc1ccc2oc(CC(=O)N3CCOCC3)nc2c1
InChIInChI=1S/C14H16N2O3/c1-10-2-3-12-11(8-10)15-13(19-12)9-14(17)16-4-6-18-7-5-16/h2-3,8H,4-7,9H2,1H3
InChIKeyWHPGUHMDYRZESN-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.54
Rot. Bonds2

About 2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone

2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone (PubChem CID 54431192) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone
PubChem CID54431192
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone
SMILESCc1ccc2oc(CC(=O)N3CCOCC3)nc2c1
InChIInChI=1S/C14H16N2O3/c1-10-2-3-12-11(8-10)15-13(19-12)9-14(17)16-4-6-18-7-5-16/h2-3,8H,4-7,9H2,1H3
InChIKeyWHPGUHMDYRZESN-UHFFFAOYSA-N
XLogP1.54
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 142614199
2-(2-bromo-5-methyl-1-benzofuran-3-yl)-1-morpholin-4-ylethanone
CID 156620519
N-(2-bromoethyl)-2-(5-methyl-1,3-benzoxazol-2-yl)acetamide
CID 54122602
2-(3-methylquinoxalin-2-yl)-1-morpholin-4-ylethanone
CID 3667314
N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53000002
2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid
CID 82154968
2-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110773791
1-[(5-methyl-1,3-benzoxazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 60917797
2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-5-methyl-1,3-benzoxazole
CID 53078410
2-(methoxymethyl)-5-methyl-1,3-benzoxazole
CID 123289847
1-cyclopropyl-N-[(5-methyl-1,3-benzoxazol-2-yl)methyl]methanamine
CID 60918378
3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982695

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone (CID 54431192) is 2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone is Cc1ccc2oc(CC(=O)N3CCOCC3)nc2c1.
What is the InChIKey of 2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone?
The InChIKey is WHPGUHMDYRZESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-2-3-12-11(8-10)15-13(19-12)9-14(17)16-4-6-18-7-5-16/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone?
2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone has a molecular weight of 260.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-benzoxazol-2-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 54431192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).