N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide

C16H19N3O4S — CID 2812630

IUPACN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)no1
InChIInChI=1S/C16H19N3O4S/c1-12-10-15(18-23-12)16(20)17-14-4-2-13(3-5-14)11-19-6-8-24(21,22)9-7-19/h2-5,10H,6-9,11H2,1H3,(H,17,20)
InChIKeyXKBMNJDZPSYJRL-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.47
Rot. Bonds4

About N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 2812630) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID2812630
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)no1
InChIInChI=1S/C16H19N3O4S/c1-12-10-15(18-23-12)16(20)17-14-4-2-13(3-5-14)11-19-6-8-24(21,22)9-7-19/h2-5,10H,6-9,11H2,1H3,(H,17,20)
InChIKeyXKBMNJDZPSYJRL-UHFFFAOYSA-N
XLogP1.47
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methoxybenzamide
CID 2811596
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-[5-(hydroxymethyl)-2-methylphenyl]benzamide
CID 59822356
5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 106910403
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950987
5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 6469593
N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 86920859
4-(5-cyano-2-methylphenyl)-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]benzamide
CID 59822390
1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-[4-methyl-3-(pyrimidin-2-ylamino)phenyl]urea
CID 10389822
5-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 39727257
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 154780076
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 2812630) is N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)no1.
What is the InChIKey of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is XKBMNJDZPSYJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-12-10-15(18-23-12)16(20)17-14-4-2-13(3-5-14)11-19-6-8-24(21,22)9-7-19/h2-5,10H,6-9,11H2,1H3,(H,17,20).
What are the key properties of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2812630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).