5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide

C15H17N5O4S — CID 70764915

IUPAC5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide
SMILESO=S(=O)(NCc1cc2n(n1)CCCNC2)c1ccc(-c2ccno2)o1
InChIInChI=1S/C15H17N5O4S/c21-25(22,15-3-2-13(23-15)14-4-6-17-24-14)18-9-11-8-12-10-16-5-1-7-20(12)19-11/h2-4,6,8,16,18H,1,5,7,9-10H2
InChIKeyFYLDHPIZYSBRTI-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.10
Rot. Bonds5

About 5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide

5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide (PubChem CID 70764915) has the molecular formula C15H17N5O4S and a molecular weight of 363.40 g/mol. Its IUPAC name is 5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide
PubChem CID70764915
Molecular FormulaC15H17N5O4S
Molecular Weight363.40 g/mol
Exact Mass363.10
IUPAC Name5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide
SMILESO=S(=O)(NCc1cc2n(n1)CCCNC2)c1ccc(-c2ccno2)o1
InChIInChI=1S/C15H17N5O4S/c21-25(22,15-3-2-13(23-15)14-4-6-17-24-14)18-9-11-8-12-10-16-5-1-7-20(12)19-11/h2-4,6,8,16,18H,1,5,7,9-10H2
InChIKeyFYLDHPIZYSBRTI-UHFFFAOYSA-N
XLogP1.10
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide?
The IUPAC name of 5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide (CID 70764915) is 5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide?
The canonical SMILES for 5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide is O=S(=O)(NCc1cc2n(n1)CCCNC2)c1ccc(-c2ccno2)o1.
What is the InChIKey of 5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide?
The InChIKey is FYLDHPIZYSBRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4S/c21-25(22,15-3-2-13(23-15)14-4-6-17-24-14)18-9-11-8-12-10-16-5-1-7-20(12)19-11/h2-4,6,8,16,18H,1,5,7,9-10H2.
What are the key properties of 5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide?
5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide has a molecular weight of 363.40 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)furan-2-sulfonamide is sourced from PubChem (CID 70764915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).