N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C14H16N4O4S — CID 122244863

IUPACN-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCn1cc(-c2ccoc2)cn1
InChIInChI=1S/C14H16N4O4S/c1-10-14(11(2)22-17-10)23(19,20)16-4-5-18-8-13(7-15-18)12-3-6-21-9-12/h3,6-9,16H,4-5H2,1-2H3
InChIKeyFAOPMPLPNJMCOZ-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.73
Rot. Bonds6

About N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 122244863) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID122244863
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC NameN-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCn1cc(-c2ccoc2)cn1
InChIInChI=1S/C14H16N4O4S/c1-10-14(11(2)22-17-10)23(19,20)16-4-5-18-8-13(7-15-18)12-3-6-21-9-12/h3,6-9,16H,4-5H2,1-2H3
InChIKeyFAOPMPLPNJMCOZ-UHFFFAOYSA-N
XLogP1.73
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 122244863) is N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCn1cc(-c2ccoc2)cn1.
What is the InChIKey of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is FAOPMPLPNJMCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-10-14(11(2)22-17-10)23(19,20)16-4-5-18-8-13(7-15-18)12-3-6-21-9-12/h3,6-9,16H,4-5H2,1-2H3.
What are the key properties of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 336.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 122244863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).