6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one

C15H16N2O3 — CID 114820019

IUPAC6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
SMILESCCNC(c1coc(C)c1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H16N2O3/c1-3-16-14(11-6-9(2)19-8-11)10-4-5-12-13(7-10)20-15(18)17-12/h4-8,14,16H,3H2,1-2H3,(H,17,18)
InChIKeyXJBMEACGRSWNMZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.72
Rot. Bonds4

About 6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one

6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 114820019) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID114820019
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
SMILESCCNC(c1coc(C)c1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H16N2O3/c1-3-16-14(11-6-9(2)19-8-11)10-4-5-12-13(7-10)20-15(18)17-12/h4-8,14,16H,3H2,1-2H3,(H,17,18)
InChIKeyXJBMEACGRSWNMZ-UHFFFAOYSA-N
XLogP2.72
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43492593
6-[amino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 114819848
6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 43492554
6-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 103400841
N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819976
6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 107001061
6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one
CID 63832546
N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 115790238
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 43486043
6-[amino-(2,4,5-trimethylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 65151595
6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one
CID 61089511

Frequently Asked Questions

What is the IUPAC name of 6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one (CID 114820019) is 6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one is CCNC(c1coc(C)c1)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is XJBMEACGRSWNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-16-14(11-6-9(2)19-8-11)10-4-5-12-13(7-10)20-15(18)17-12/h4-8,14,16H,3H2,1-2H3,(H,17,18).
What are the key properties of 6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one?
6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 272.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 114820019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).