2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide

C16H16N2O4S — CID 111482721

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
SMILESCC(O)(CNC(=O)CSc1nc2ccccc2o1)c1ccco1
InChIInChI=1S/C16H16N2O4S/c1-16(20,13-7-4-8-21-13)10-17-14(19)9-23-15-18-11-5-2-3-6-12(11)22-15/h2-8,20H,9-10H2,1H3,(H,17,19)
InChIKeyDKWHSCUUQQJZCS-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.54
Rot. Bonds6

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide (PubChem CID 111482721) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
PubChem CID111482721
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
SMILESCC(O)(CNC(=O)CSc1nc2ccccc2o1)c1ccco1
InChIInChI=1S/C16H16N2O4S/c1-16(20,13-7-4-8-21-13)10-17-14(19)9-23-15-18-11-5-2-3-6-12(11)22-15/h2-8,20H,9-10H2,1H3,(H,17,19)
InChIKeyDKWHSCUUQQJZCS-UHFFFAOYSA-N
XLogP2.54
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide (CID 111482721) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide is CC(O)(CNC(=O)CSc1nc2ccccc2o1)c1ccco1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide?
The InChIKey is DKWHSCUUQQJZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-16(20,13-7-4-8-21-13)10-17-14(19)9-23-15-18-11-5-2-3-6-12(11)22-15/h2-8,20H,9-10H2,1H3,(H,17,19).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide has a molecular weight of 332.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 111482721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).