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

C16H18N4O3S — CID 128967815

IUPAC1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCC1CCc2nccn2C1
InChIInChI=1S/C16H18N4O3S/c21-24(22,11-14-13-3-1-2-4-15(13)23-19-14)18-9-12-5-6-16-17-7-8-20(16)10-12/h1-4,7-8,12,18H,5-6,9-11H2
InChIKeySFUQDFNPNZTKFZ-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.71
Rot. Bonds5

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

1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide (PubChem CID 128967815) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide
PubChem CID128967815
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCC1CCc2nccn2C1
InChIInChI=1S/C16H18N4O3S/c21-24(22,11-14-13-3-1-2-4-15(13)23-19-14)18-9-12-5-6-16-17-7-8-20(16)10-12/h1-4,7-8,12,18H,5-6,9-11H2
InChIKeySFUQDFNPNZTKFZ-UHFFFAOYSA-N
XLogP1.71
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide
CID 129338694
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide
CID 128995590
3-ethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129340913
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 128995583
1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide
CID 126917857
1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
CID 144673526
2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128966223
1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 129474085
1-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 129474083
(2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide
CID 129472884
1-(1,2-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 90624657
4-chloro-3-cyano-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide
CID 129338183

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide (CID 128967815) is 1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)NCC1CCc2nccn2C1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide?
The InChIKey is SFUQDFNPNZTKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c21-24(22,11-14-13-3-1-2-4-15(13)23-19-14)18-9-12-5-6-16-17-7-8-20(16)10-12/h1-4,7-8,12,18H,5-6,9-11H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide is sourced from PubChem (CID 128967815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).