4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline

C17H23N3O4S — CID 110364286

IUPAC4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline
SMILESCc1noc(C)c1S(=O)(=O)N1CCOC(c2ccc(N(C)C)cc2)C1
InChIInChI=1S/C17H23N3O4S/c1-12-17(13(2)24-18-12)25(21,22)20-9-10-23-16(11-20)14-5-7-15(8-6-14)19(3)4/h5-8,16H,9-11H2,1-4H3
InChIKeyOKPQORPCHPLTAL-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.12
Rot. Bonds4

About 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline

4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline (PubChem CID 110364286) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline
PubChem CID110364286
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline
SMILESCc1noc(C)c1S(=O)(=O)N1CCOC(c2ccc(N(C)C)cc2)C1
InChIInChI=1S/C17H23N3O4S/c1-12-17(13(2)24-18-12)25(21,22)20-9-10-23-16(11-20)14-5-7-15(8-6-14)19(3)4/h5-8,16H,9-11H2,1-4H3
InChIKeyOKPQORPCHPLTAL-UHFFFAOYSA-N
XLogP2.12
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(4-methoxyphenyl)morpholine
CID 110327282
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline
CID 110364270
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
N-[[4-(dimethylamino)phenyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethylpiperidine-3-carboxamide
CID 55455255
(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-4-(4-methylphenyl)pyrrolidin-3-amine
CID 72916390
N,N-dimethyl-2-(4-methylphenyl)morpholine-4-sulfonamide
CID 110326565
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5,5-dimethyl-2-phenylmorpholine
CID 110327408
3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole
CID 110740099
3,5-dimethyl-4-(3-phenylazepan-1-yl)sulfonyl-1,2-oxazole
CID 90608649
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 11926625
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
CID 65245066
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-ol
CID 50965042

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline (CID 110364286) is 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline is Cc1noc(C)c1S(=O)(=O)N1CCOC(c2ccc(N(C)C)cc2)C1.
What is the InChIKey of 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline?
The InChIKey is OKPQORPCHPLTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-12-17(13(2)24-18-12)25(21,22)20-9-10-23-16(11-20)14-5-7-15(8-6-14)19(3)4/h5-8,16H,9-11H2,1-4H3.
What are the key properties of 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline?
4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline has a molecular weight of 365.46 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 110364286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).