N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide

C16H23N5O4S — CID 129325825

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCc1nc(CN([C@H]2CCCN(c3ccnn3C)C2=O)S(C)(=O)=O)oc1C
InChIInChI=1S/C16H23N5O4S/c1-11-12(2)25-14(18-11)10-21(26(4,23)24)13-6-5-9-20(16(13)22)15-7-8-17-19(15)3/h7-8,13H,5-6,9-10H2,1-4H3/t13-/m0/s1
InChIKeyCQFJDGZRVXEIPP-ZDUSSCGKSA-N
MW381.46 g/mol
LogP0.98
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide (PubChem CID 129325825) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
PubChem CID129325825
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCc1nc(CN([C@H]2CCCN(c3ccnn3C)C2=O)S(C)(=O)=O)oc1C
InChIInChI=1S/C16H23N5O4S/c1-11-12(2)25-14(18-11)10-21(26(4,23)24)13-6-5-9-20(16(13)22)15-7-8-17-19(15)3/h7-8,13H,5-6,9-10H2,1-4H3/t13-/m0/s1
InChIKeyCQFJDGZRVXEIPP-ZDUSSCGKSA-N
XLogP0.98
TPSA101.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide (CID 129325825) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide is Cc1nc(CN([C@H]2CCCN(c3ccnn3C)C2=O)S(C)(=O)=O)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The InChIKey is CQFJDGZRVXEIPP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-11-12(2)25-14(18-11)10-21(26(4,23)24)13-6-5-9-20(16(13)22)15-7-8-17-19(15)3/h7-8,13H,5-6,9-10H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide has a molecular weight of 381.46 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 129325825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).