2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide

C19H16N2O3S — CID 35537870

IUPAC2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1noc2ccccc12)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C19H16N2O3S/c22-19(11-17-16-7-1-2-8-18(16)24-20-17)21(12-14-5-3-9-23-14)13-15-6-4-10-25-15/h1-10H,11-13H2
InChIKeyWAOQCDLFYCLNLX-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.25
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 35537870) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID35537870
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1noc2ccccc12)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C19H16N2O3S/c22-19(11-17-16-7-1-2-8-18(16)24-20-17)21(12-14-5-3-9-23-14)13-15-6-4-10-25-15/h1-10H,11-13H2
InChIKeyWAOQCDLFYCLNLX-UHFFFAOYSA-N
XLogP4.25
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090197
3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 52556210
N-(furan-2-ylmethyl)-5-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 31835199
N-(furan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 31836776
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
N-(furan-2-ylmethyl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 18157870
N-(furan-2-ylmethyl)-2-(prop-2-ynylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 78915175
N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 17497766
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide (CID 35537870) is 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cc1noc2ccccc12)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WAOQCDLFYCLNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-19(11-17-16-7-1-2-8-18(16)24-20-17)21(12-14-5-3-9-23-14)13-15-6-4-10-25-15/h1-10H,11-13H2.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 352.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 35537870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).