6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one

C16H18N2O3 — CID 62298953

IUPAC6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCCCNC(c1ccc2c(c1)oc(=O)n2C)c1ccco1
InChIInChI=1S/C16H18N2O3/c1-3-8-17-15(13-5-4-9-20-13)11-6-7-12-14(10-11)21-16(19)18(12)2/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyXZXMVTWJSRLENV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.81
Rot. Bonds5

About 6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one

6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 62298953) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID62298953
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCCCNC(c1ccc2c(c1)oc(=O)n2C)c1ccco1
InChIInChI=1S/C16H18N2O3/c1-3-8-17-15(13-5-4-9-20-13)11-6-7-12-14(10-11)21-16(19)18(12)2/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyXZXMVTWJSRLENV-UHFFFAOYSA-N
XLogP2.81
TPSA60.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-6-[2-methyl-1-(propylamino)butyl]-1,3-benzoxazol-2-one
CID 62300194
6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62300199
6-[2-cyclopropyl-1-(propylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 83149805
N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496452
6-[ethylamino-(5-iodothiophen-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 79691305
N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81290836
6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one
CID 62300946
N-[furan-2-yl(quinolin-7-yl)methyl]propan-1-amine
CID 81231383
6-[(5-bromothiophen-2-yl)-(ethylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299487
6-(1-hydroxy-2-propylpentyl)-3-methyl-1,3-benzoxazol-2-one
CID 82987811
6-(1-bromo-2-ethylbutyl)-3-methyl-1,3-benzoxazol-2-one
CID 62298969
N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 104851281

Frequently Asked Questions

What is the IUPAC name of 6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one (CID 62298953) is 6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one is CCCNC(c1ccc2c(c1)oc(=O)n2C)c1ccco1.
What is the InChIKey of 6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is XZXMVTWJSRLENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-8-17-15(13-5-4-9-20-13)11-6-7-12-14(10-11)21-16(19)18(12)2/h4-7,9-10,15,17H,3,8H2,1-2H3.
What are the key properties of 6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one?
6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 286.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62298953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).