N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide

C16H17Cl2N3O3 — CID 2743027

IUPACN-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1N(C)C(=O)N1CCOCC1
InChIInChI=1S/C16H17Cl2N3O3/c1-10-15(20(2)16(22)21-6-8-23-9-7-21)14(19-24-10)13-11(17)4-3-5-12(13)18/h3-5H,6-9H2,1-2H3
InChIKeyNXMLTHMVDRKTCQ-UHFFFAOYSA-N
MW370.24 g/mol
LogP3.85
Rot. Bonds2

About N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide

N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide (PubChem CID 2743027) has the molecular formula C16H17Cl2N3O3 and a molecular weight of 370.24 g/mol. Its IUPAC name is N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide
PubChem CID2743027
Molecular FormulaC16H17Cl2N3O3
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC NameN-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1N(C)C(=O)N1CCOCC1
InChIInChI=1S/C16H17Cl2N3O3/c1-10-15(20(2)16(22)21-6-8-23-9-7-21)14(19-24-10)13-11(17)4-3-5-12(13)18/h3-5H,6-9H2,1-2H3
InChIKeyNXMLTHMVDRKTCQ-UHFFFAOYSA-N
XLogP3.85
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide (CID 2743027) is N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide is Cc1onc(-c2c(Cl)cccc2Cl)c1N(C)C(=O)N1CCOCC1.
What is the InChIKey of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide?
The InChIKey is NXMLTHMVDRKTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3/c1-10-15(20(2)16(22)21-6-8-23-9-7-21)14(19-24-10)13-11(17)4-3-5-12(13)18/h3-5H,6-9H2,1-2H3.
What are the key properties of N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide?
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide has a molecular weight of 370.24 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 2743027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).