6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one

C16H22N2O3 — CID 62300021

IUPAC6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCCNC(c1ccc2c(c1)oc(=O)n2C)C1CCCCO1
InChIInChI=1S/C16H22N2O3/c1-3-17-15(13-6-4-5-9-20-13)11-7-8-12-14(10-11)21-16(19)18(12)2/h7-8,10,13,15,17H,3-6,9H2,1-2H3
InChIKeyGKYHYTFDDLKIGT-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.35
Rot. Bonds4

About 6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one

6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 62300021) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID62300021
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCCNC(c1ccc2c(c1)oc(=O)n2C)C1CCCCO1
InChIInChI=1S/C16H22N2O3/c1-3-17-15(13-6-4-5-9-20-13)11-7-8-12-14(10-11)21-16(19)18(12)2/h7-8,10,13,15,17H,3-6,9H2,1-2H3
InChIKeyGKYHYTFDDLKIGT-UHFFFAOYSA-N
XLogP2.35
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one
CID 62298979
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxan-2-yl)methyl]ethanamine
CID 62215137
6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 65157893
N-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine
CID 105020825
6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 83149805
3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one
CID 81329934
6-[bromo(cyclooctyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 65020555
N-[(3-bromo-4-propoxyphenyl)-(oxan-2-yl)methyl]ethanamine
CID 104658037
N-[(3-methyltriazol-4-yl)-(oxan-2-yl)methyl]ethanamine
CID 105043621
6-[bromo(cyclopentyl)methyl]-3-propyl-1,3-benzoxazol-2-one
CID 63444405
6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62273475
6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62301111

Frequently Asked Questions

What is the IUPAC name of 6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one (CID 62300021) is 6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one is CCNC(c1ccc2c(c1)oc(=O)n2C)C1CCCCO1.
What is the InChIKey of 6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is GKYHYTFDDLKIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-17-15(13-6-4-5-9-20-13)11-7-8-12-14(10-11)21-16(19)18(12)2/h7-8,10,13,15,17H,3-6,9H2,1-2H3.
What are the key properties of 6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one?
6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 290.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62300021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).