N-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide

C12H17N3O4S — CID 97410173

IUPACN-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1noc2c1CN(C(=O)C1CC1)CC2
InChIInChI=1S/C12H17N3O4S/c1-20(17,18)13-6-10-9-7-15(12(16)8-2-3-8)5-4-11(9)19-14-10/h8,13H,2-7H2,1H3
InChIKeyBLZGWNHXYJUIOT-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.02
Rot. Bonds4

About N-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide

N-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide (PubChem CID 97410173) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide
PubChem CID97410173
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC NameN-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1noc2c1CN(C(=O)C1CC1)CC2
InChIInChI=1S/C12H17N3O4S/c1-20(17,18)13-6-10-9-7-15(12(16)8-2-3-8)5-4-11(9)19-14-10/h8,13H,2-7H2,1H3
InChIKeyBLZGWNHXYJUIOT-UHFFFAOYSA-N
XLogP0.02
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide (CID 97410173) is N-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1noc2c1CN(C(=O)C1CC1)CC2.
What is the InChIKey of N-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide?
The InChIKey is BLZGWNHXYJUIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-20(17,18)13-6-10-9-7-15(12(16)8-2-3-8)5-4-11(9)19-14-10/h8,13H,2-7H2,1H3.
What are the key properties of N-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide?
N-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide has a molecular weight of 299.35 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97410173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).