N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C16H18ClN3O3 — CID 4800687

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C16H18ClN3O3/c1-10-15(11(2)23-19-10)16(21)18-13-9-12(17)3-4-14(13)20-5-7-22-8-6-20/h3-4,9H,5-8H2,1-2H3,(H,18,21)
InChIKeyOLIARQZXDANESK-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.03
Rot. Bonds3

About N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 4800687) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID4800687
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C16H18ClN3O3/c1-10-15(11(2)23-19-10)16(21)18-13-9-12(17)3-4-14(13)20-5-7-22-8-6-20/h3-4,9H,5-8H2,1-2H3,(H,18,21)
InChIKeyOLIARQZXDANESK-UHFFFAOYSA-N
XLogP3.03
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 4800687) is N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is OLIARQZXDANESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-10-15(11(2)23-19-10)16(21)18-13-9-12(17)3-4-14(13)20-5-7-22-8-6-20/h3-4,9H,5-8H2,1-2H3,(H,18,21).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 335.79 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4800687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).