2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide

C8H9N5O3S — CID 81176880

IUPAC2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCc2ccon2)cn1
InChIInChI=1S/C8H9N5O3S/c9-8-10-4-7(5-11-8)17(14,15)12-3-6-1-2-16-13-6/h1-2,4-5,12H,3H2,(H2,9,10,11)
InChIKeyIWURZUGHXNFCTO-UHFFFAOYSA-N
MW255.26 g/mol
LogP-0.47
Rot. Bonds4

About 2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide

2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide (PubChem CID 81176880) has the molecular formula C8H9N5O3S and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide
PubChem CID81176880
Molecular FormulaC8H9N5O3S
Molecular Weight255.26 g/mol
Exact Mass255.04
IUPAC Name2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCc2ccon2)cn1
InChIInChI=1S/C8H9N5O3S/c9-8-10-4-7(5-11-8)17(14,15)12-3-6-1-2-16-13-6/h1-2,4-5,12H,3H2,(H2,9,10,11)
InChIKeyIWURZUGHXNFCTO-UHFFFAOYSA-N
XLogP-0.47
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyridine-3-sulfonamide
CID 81177707
2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81169956
2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 81170323
4-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176602
4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81173742
2-amino-N-ethylpyrimidine-5-sulfonamide
CID 62148318
N-(1,2-oxazol-3-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 81178108
2-amino-5-bromo-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81171163
5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide
CID 81173672
methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate
CID 79481288
2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477364
4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81170213

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide (CID 81176880) is 2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide is Nc1ncc(S(=O)(=O)NCc2ccon2)cn1.
What is the InChIKey of 2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide?
The InChIKey is IWURZUGHXNFCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O3S/c9-8-10-4-7(5-11-8)17(14,15)12-3-6-1-2-16-13-6/h1-2,4-5,12H,3H2,(H2,9,10,11).
What are the key properties of 2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide?
2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide has a molecular weight of 255.26 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 81176880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).