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

C19H15N3O4S — CID 1244681

IUPAC4-(benzenesulfonyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1cccnc1
InChIInChI=1S/C19H15N3O4S/c23-27(24,15-7-2-1-3-8-15)19-18(21-13-14-6-4-10-20-12-14)26-17(22-19)16-9-5-11-25-16/h1-12,21H,13H2
InChIKeyQRHMHIFEJIDEFD-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.77
Rot. Bonds6

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

4-(benzenesulfonyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine (PubChem CID 1244681) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine
PubChem CID1244681
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name4-(benzenesulfonyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1cccnc1
InChIInChI=1S/C19H15N3O4S/c23-27(24,15-7-2-1-3-8-15)19-18(21-13-14-6-4-10-20-12-14)26-17(22-19)16-9-5-11-25-16/h1-12,21H,13H2
InChIKeyQRHMHIFEJIDEFD-UHFFFAOYSA-N
XLogP3.77
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.77
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-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine (CID 1244681) is 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine is O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1cccnc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine?
The InChIKey is QRHMHIFEJIDEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c23-27(24,15-7-2-1-3-8-15)19-18(21-13-14-6-4-10-20-12-14)26-17(22-19)16-9-5-11-25-16/h1-12,21H,13H2.
What are the key properties of 4-(benzenesulfonyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine has a molecular weight of 381.41 g/mol, XLogP of 3.77, 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-(pyridin-3-ylmethyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 1244681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).