3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H16ClN3O3 — CID 24712265

IUPAC3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCNC(=O)CNC(=O)C1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C14H16ClN3O3/c1-2-16-13(19)8-17-14(20)12-7-11(18-21-12)9-3-5-10(15)6-4-9/h3-6,12H,2,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyISDKUTAUHBNOBQ-UHFFFAOYSA-N
MW309.75 g/mol
LogP1.09
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 24712265) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID24712265
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCNC(=O)CNC(=O)C1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C14H16ClN3O3/c1-2-16-13(19)8-17-14(20)12-7-11(18-21-12)9-3-5-10(15)6-4-9/h3-6,12H,2,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyISDKUTAUHBNOBQ-UHFFFAOYSA-N
XLogP1.09
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[3-(ethylamino)-3-oxopropyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 24712158
3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbohydrazide
CID 14998678
3-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51088784
3-(4-methylphenyl)-N-propyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 83288373
(5R)-3-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260064
[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3158123
(5R)-N-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503762
(5S)-3-(4-chlorophenyl)-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51498728
(5S)-N-ethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 93143687
(5S)-3-(4-chlorophenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51498199
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158099
3-(4-chlorophenyl)-N-(1-methylpiperidin-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46963515

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 24712265) is 3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CCNC(=O)CNC(=O)C1CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ISDKUTAUHBNOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-2-16-13(19)8-17-14(20)12-7-11(18-21-12)9-3-5-10(15)6-4-9/h3-6,12H,2,7-8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 309.75 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 24712265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).