6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one

C14H18N2O2 — CID 62298981

IUPAC6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(NC)C3CC3)ccc21
InChIInChI=1S/C14H18N2O2/c1-3-16-11-7-6-10(8-12(11)18-14(16)17)13(15-2)9-4-5-9/h6-9,13,15H,3-5H2,1-2H3
InChIKeyHEEQTIVQAHMELC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.28
Rot. Bonds4

About 6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one

6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one (PubChem CID 62298981) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
PubChem CID62298981
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(NC)C3CC3)ccc21
InChIInChI=1S/C14H18N2O2/c1-3-16-11-7-6-10(8-12(11)18-14(16)17)13(15-2)9-4-5-9/h6-9,13,15H,3-5H2,1-2H3
InChIKeyHEEQTIVQAHMELC-UHFFFAOYSA-N
XLogP2.28
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one
CID 62298979
6-[cyclobutyl(propylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62301111
6-(1-chloro-2-cyclopropylpropyl)-3-ethyl-1,3-benzoxazol-2-one
CID 83148970
3-ethyl-6-[2-ethyl-1-(methylamino)butyl]-1,3-benzoxazol-2-one
CID 62300737
6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62298459
3-ethyl-6-[2,2,2-trifluoro-1-(methylamino)ethyl]-1,3-benzoxazol-2-one
CID 55053835
6-[chloro(oxan-4-yl)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62907110
6-[2-cyclopropyl-1-(propylamino)ethyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62300740
6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one
CID 62298654
6-(1-bromopropyl)-3-ethyl-1,3-benzoxazol-2-one
CID 62299352
6-[chloro-(2-methylcyclopropyl)methyl]-3-ethyl-1,3-benzoxazol-2-one
CID 62300567
3-ethyl-6-[hydroxy(piperidin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 64867888

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one (CID 62298981) is 6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one is CCn1c(=O)oc2cc(C(NC)C3CC3)ccc21.
What is the InChIKey of 6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one?
The InChIKey is HEEQTIVQAHMELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-16-11-7-6-10(8-12(11)18-14(16)17)13(15-2)9-4-5-9/h6-9,13,15H,3-5H2,1-2H3.
What are the key properties of 6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one?
6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(methylamino)methyl]-3-ethyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62298981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).