N-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide

C13H18N4O3S — CID 128995122

IUPACN-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccon1)Cc1cn2c(n1)CCCC2
InChIInChI=1S/C13H18N4O3S/c1-21(18,19)17(9-11-5-7-20-15-11)10-12-8-16-6-3-2-4-13(16)14-12/h5,7-8H,2-4,6,9-10H2,1H3
InChIKeyPHRCUQDUGURBGU-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.17
Rot. Bonds5

About N-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide

N-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide (PubChem CID 128995122) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide
PubChem CID128995122
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccon1)Cc1cn2c(n1)CCCC2
InChIInChI=1S/C13H18N4O3S/c1-21(18,19)17(9-11-5-7-20-15-11)10-12-8-16-6-3-2-4-13(16)14-12/h5,7-8H,2-4,6,9-10H2,1H3
InChIKeyPHRCUQDUGURBGU-UHFFFAOYSA-N
XLogP1.17
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide (CID 128995122) is N-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide is CS(=O)(=O)N(Cc1ccon1)Cc1cn2c(n1)CCCC2.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
The InChIKey is PHRCUQDUGURBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-21(18,19)17(9-11-5-7-20-15-11)10-12-8-16-6-3-2-4-13(16)14-12/h5,7-8H,2-4,6,9-10H2,1H3.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide?
N-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 128995122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).