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

C16H18N4O3S — CID 129338694

IUPAC1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NC[C@H]1CCn2ccnc2C1
InChIInChI=1S/C16H18N4O3S/c21-24(22,11-14-13-3-1-2-4-15(13)23-19-14)18-10-12-5-7-20-8-6-17-16(20)9-12/h1-4,6,8,12,18H,5,7,9-11H2/t12-/m0/s1
InChIKeyUWHUJNHCQKDEIK-LBPRGKRZSA-N
MW346.41 g/mol
LogP1.71
Rot. Bonds5

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

1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide (PubChem CID 129338694) 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-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide
PubChem CID129338694
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NC[C@H]1CCn2ccnc2C1
InChIInChI=1S/C16H18N4O3S/c21-24(22,11-14-13-3-1-2-4-15(13)23-19-14)18-10-12-5-7-20-8-6-17-16(20)9-12/h1-4,6,8,12,18H,5,7,9-11H2/t12-/m0/s1
InChIKeyUWHUJNHCQKDEIK-LBPRGKRZSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide (CID 129338694) is 1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)NC[C@H]1CCn2ccnc2C1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide?
The InChIKey is UWHUJNHCQKDEIK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4O3S/c21-24(22,11-14-13-3-1-2-4-15(13)23-19-14)18-10-12-5-7-20-8-6-17-16(20)9-12/h1-4,6,8,12,18H,5,7,9-11H2/t12-/m0/s1.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]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-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 129338694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).