6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide

C16H18N4O3S — CID 118780109

IUPAC6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide
SMILESCC1(C)SCC(C(=O)NCc2cc(-c3cccnc3)no2)NC1=O
InChIInChI=1S/C16H18N4O3S/c1-16(2)15(22)19-13(9-24-16)14(21)18-8-11-6-12(20-23-11)10-4-3-5-17-7-10/h3-7,13H,8-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyYVTSCBCPZYOWHP-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.36
Rot. Bonds4

About 6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide

6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide (PubChem CID 118780109) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide
PubChem CID118780109
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide
SMILESCC1(C)SCC(C(=O)NCc2cc(-c3cccnc3)no2)NC1=O
InChIInChI=1S/C16H18N4O3S/c1-16(2)15(22)19-13(9-24-16)14(21)18-8-11-6-12(20-23-11)10-4-3-5-17-7-10/h3-7,13H,8-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyYVTSCBCPZYOWHP-UHFFFAOYSA-N
XLogP1.36
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide with MolForge

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Related Compounds

6,6-dimethyl-5-oxo-N-[2-(pyridine-3-carbonylamino)ethyl]thiomorpholine-3-carboxamide
CID 74245475
(3R)-6,6-dimethyl-5-oxo-N-(3-pyridin-3-yloxypropyl)thiomorpholine-3-carboxamide
CID 126442026
6,6-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxothiomorpholine-3-carboxamide
CID 118785839
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91777300
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
(3S)-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 125170958
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 154564689
N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 122557570
N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171709577
N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 118771248
2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977205
(3S)-6,6-dimethyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 137036840

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide?
The IUPAC name of 6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide (CID 118780109) is 6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for 6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide?
The canonical SMILES for 6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide is CC1(C)SCC(C(=O)NCc2cc(-c3cccnc3)no2)NC1=O.
What is the InChIKey of 6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide?
The InChIKey is YVTSCBCPZYOWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-16(2)15(22)19-13(9-24-16)14(21)18-8-11-6-12(20-23-11)10-4-3-5-17-7-10/h3-7,13H,8-9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide?
6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5-oxo-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 118780109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).