4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine

C18H14N2O5S — CID 1244673

IUPAC4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1ccco1
InChIInChI=1S/C18H14N2O5S/c21-26(22,14-7-2-1-3-8-14)18-17(19-12-13-6-4-10-23-13)25-16(20-18)15-9-5-11-24-15/h1-11,19H,12H2
InChIKeyAVUDBVVAYWAMLJ-UHFFFAOYSA-N
MW370.39 g/mol
LogP3.97
Rot. Bonds6

About 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine

4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine (PubChem CID 1244673) has the molecular formula C18H14N2O5S and a molecular weight of 370.39 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine
PubChem CID1244673
Molecular FormulaC18H14N2O5S
Molecular Weight370.39 g/mol
Exact Mass370.06
IUPAC Name4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1ccco1
InChIInChI=1S/C18H14N2O5S/c21-26(22,14-7-2-1-3-8-14)18-17(19-12-13-6-4-10-23-13)25-16(20-18)15-9-5-11-24-15/h1-11,19H,12H2
InChIKeyAVUDBVVAYWAMLJ-UHFFFAOYSA-N
XLogP3.97
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine (CID 1244673) is 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine is O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1ccco1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine?
The InChIKey is AVUDBVVAYWAMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5S/c21-26(22,14-7-2-1-3-8-14)18-17(19-12-13-6-4-10-23-13)25-16(20-18)15-9-5-11-24-15/h1-11,19H,12H2.
What are the key properties of 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine has a molecular weight of 370.39 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(furan-2-ylmethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 1244673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).