6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one

C15H16N2O3S — CID 81122099

IUPAC6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCNC(c1ccc2c(c1)oc(=O)n2C)c1sccc1OC
InChIInChI=1S/C15H16N2O3S/c1-16-13(14-11(19-3)6-7-21-14)9-4-5-10-12(8-9)20-15(18)17(10)2/h4-8,13,16H,1-3H3
InChIKeyBDAYSPXWWMZRCB-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.51
Rot. Bonds4

About 6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one

6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 81122099) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID81122099
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCNC(c1ccc2c(c1)oc(=O)n2C)c1sccc1OC
InChIInChI=1S/C15H16N2O3S/c1-16-13(14-11(19-3)6-7-21-14)9-4-5-10-12(8-9)20-15(18)17(10)2/h4-8,13,16H,1-3H3
InChIKeyBDAYSPXWWMZRCB-UHFFFAOYSA-N
XLogP2.51
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[methoxy(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116961538
6-[bromo-(3-methylthiophen-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62300385
6-[(3-bromothiophen-2-yl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 63796801
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81126472
3-methyl-6-[1-(methylamino)-2-sulfanylethyl]-1,3-benzoxazol-2-one
CID 116830693
1-(3-methoxythiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115850644
1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127265
6-[3-amino-1-(methylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 116948451
6-[ethylamino-(5-iodothiophen-3-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 79691305
1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 113461762
6-(1-chloro-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62300717
6-(1,2-diamino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932681

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one (CID 81122099) is 6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one is CNC(c1ccc2c(c1)oc(=O)n2C)c1sccc1OC.
What is the InChIKey of 6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is BDAYSPXWWMZRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-16-13(14-11(19-3)6-7-21-14)9-4-5-10-12(8-9)20-15(18)17(10)2/h4-8,13,16H,1-3H3.
What are the key properties of 6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one?
6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 304.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxythiophen-2-yl)-(methylamino)methyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 81122099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).