N,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide

C18H16N4O5S — CID 131938695

IUPACN,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide
SMILESCc1oc(-c2ccno2)cc1S(=O)(=O)N(C)Cc1cc(-c2ccncc2)no1
InChIInChI=1S/C18H16N4O5S/c1-12-18(10-17(25-12)16-5-8-20-27-16)28(23,24)22(2)11-14-9-15(21-26-14)13-3-6-19-7-4-13/h3-10H,11H2,1-2H3
InChIKeyURTHVDRNLBTJNF-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.11
Rot. Bonds6

About N,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide

N,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide (PubChem CID 131938695) has the molecular formula C18H16N4O5S and a molecular weight of 400.42 g/mol. Its IUPAC name is N,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide
PubChem CID131938695
Molecular FormulaC18H16N4O5S
Molecular Weight400.42 g/mol
Exact Mass400.08
IUPAC NameN,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide
SMILESCc1oc(-c2ccno2)cc1S(=O)(=O)N(C)Cc1cc(-c2ccncc2)no1
InChIInChI=1S/C18H16N4O5S/c1-12-18(10-17(25-12)16-5-8-20-27-16)28(23,24)22(2)11-14-9-15(21-26-14)13-3-6-19-7-4-13/h3-10H,11H2,1-2H3
InChIKeyURTHVDRNLBTJNF-UHFFFAOYSA-N
XLogP3.11
TPSA115.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide?
The IUPAC name of N,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide (CID 131938695) is N,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide.
What is the SMILES notation for N,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide?
The canonical SMILES for N,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide is Cc1oc(-c2ccno2)cc1S(=O)(=O)N(C)Cc1cc(-c2ccncc2)no1.
What is the InChIKey of N,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide?
The InChIKey is URTHVDRNLBTJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5S/c1-12-18(10-17(25-12)16-5-8-20-27-16)28(23,24)22(2)11-14-9-15(21-26-14)13-3-6-19-7-4-13/h3-10H,11H2,1-2H3.
What are the key properties of N,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide?
N,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide has a molecular weight of 400.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]furan-3-sulfonamide is sourced from PubChem (CID 131938695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).