N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide

C17H20ClN3O3 — CID 138993157

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(c2ccc(Cl)cc2)N2CCOCC2)co1
InChIInChI=1S/C17H20ClN3O3/c1-12-20-15(11-24-12)17(22)19-10-16(21-6-8-23-9-7-21)13-2-4-14(18)5-3-13/h2-5,11,16H,6-10H2,1H3,(H,19,22)
InChIKeyYALKRZRHNKHTSH-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 138993157) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID138993157
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(c2ccc(Cl)cc2)N2CCOCC2)co1
InChIInChI=1S/C17H20ClN3O3/c1-12-20-15(11-24-12)17(22)19-10-16(21-6-8-23-9-7-21)13-2-4-14(18)5-3-13/h2-5,11,16H,6-10H2,1H3,(H,19,22)
InChIKeyYALKRZRHNKHTSH-UHFFFAOYSA-N
XLogP2.44
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide
CID 60597091
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 34949347
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51108370
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 50754305
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 119867125
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119867154
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide (CID 138993157) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCC(c2ccc(Cl)cc2)N2CCOCC2)co1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is YALKRZRHNKHTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-12-20-15(11-24-12)17(22)19-10-16(21-6-8-23-9-7-21)13-2-4-14(18)5-3-13/h2-5,11,16H,6-10H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138993157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).