N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide

C21H18ClN3O4 — CID 53122853

IUPACN-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ncoc1-c1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C21H18ClN3O4/c22-16-7-3-4-8-17(16)24-20(26)18-19(29-13-23-18)14-5-1-2-6-15(14)21(27)25-9-11-28-12-10-25/h1-8,13H,9-12H2,(H,24,26)
InChIKeyAKFUUKRGHHVMQL-UHFFFAOYSA-N
MW411.85 g/mol
LogP3.72
Rot. Bonds4

About N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide

N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 53122853) has the molecular formula C21H18ClN3O4 and a molecular weight of 411.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID53122853
Molecular FormulaC21H18ClN3O4
Molecular Weight411.85 g/mol
Exact Mass411.10
IUPAC NameN-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ncoc1-c1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C21H18ClN3O4/c22-16-7-3-4-8-17(16)24-20(26)18-19(29-13-23-18)14-5-1-2-6-15(14)21(27)25-9-11-28-12-10-25/h1-8,13H,9-12H2,(H,24,26)
InChIKeyAKFUUKRGHHVMQL-UHFFFAOYSA-N
XLogP3.72
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122870
piperidin-1-yl-[2-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122822
[2-[4-(piperidine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 53031921
5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 126468353
azepan-1-yl-[2-[4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122960
N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122805
N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
CID 46347232
5-[2-(azepane-1-carbonyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]-1,3-oxazole-4-carboxamide
CID 95090581
2-chloro-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 56920455
2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
CID 4676090
5-[2-(azepane-1-carbonyl)phenyl]-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 53122961
5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 126468364

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide (CID 53122853) is N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is O=C(Nc1ccccc1Cl)c1ncoc1-c1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is AKFUUKRGHHVMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4/c22-16-7-3-4-8-17(16)24-20(26)18-19(29-13-23-18)14-5-1-2-6-15(14)21(27)25-9-11-28-12-10-25/h1-8,13H,9-12H2,(H,24,26).
What are the key properties of N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide?
N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 411.85 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-[2-(morpholine-4-carbonyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53122853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).