3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide

C18H23N3O5S — CID 25404526

IUPAC3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H23N3O5S/c1-13-17(14(2)26-20-13)18(22)19-11-15-5-3-4-6-16(15)12-27(23,24)21-7-9-25-10-8-21/h3-6H,7-12H2,1-2H3,(H,19,22)
InChIKeyICAHLSRECVUHBM-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.38
Rot. Bonds6

About 3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 25404526) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID25404526
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H23N3O5S/c1-13-17(14(2)26-20-13)18(22)19-11-15-5-3-4-6-16(15)12-27(23,24)21-7-9-25-10-8-21/h3-6H,7-12H2,1-2H3,(H,19,22)
InChIKeyICAHLSRECVUHBM-UHFFFAOYSA-N
XLogP1.38
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399
5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 16574483
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide
CID 17408204
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 17409313
2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24535412
2-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]acetamide;hydrochloride
CID 119697573
2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81312082
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119275554
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24582298
N-[2-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24553156
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119697580

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide (CID 25404526) is 3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1.
What is the InChIKey of 3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ICAHLSRECVUHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-13-17(14(2)26-20-13)18(22)19-11-15-5-3-4-6-16(15)12-27(23,24)21-7-9-25-10-8-21/h3-6H,7-12H2,1-2H3,(H,19,22).
What are the key properties of 3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25404526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).