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

C14H16ClN3O2 — CID 119507911

IUPAC5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCCNCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C14H16ClN3O2/c1-2-16-7-8-17-14(19)12-9-13(20-18-12)10-3-5-11(15)6-4-10/h3-6,9,16H,2,7-8H2,1H3,(H,17,19)
InChIKeyUPFNGFCSSRNCPT-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.33
Rot. Bonds6

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

5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 119507911) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID119507911
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
SMILESCCNCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C14H16ClN3O2/c1-2-16-7-8-17-14(19)12-9-13(20-18-12)10-3-5-11(15)6-4-10/h3-6,9,16H,2,7-8H2,1H3,(H,17,19)
InChIKeyUPFNGFCSSRNCPT-UHFFFAOYSA-N
XLogP2.33
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119498092
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3241430
N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 155820442
5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 39866064
N-[2-(3-bromophenyl)ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 57383727
5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119447808
N-[2-(4-chlorophenoxy)propyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51065323
5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 75448483
N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide
CID 71090833
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17010920

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide (CID 119507911) is 5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide is CCNCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UPFNGFCSSRNCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-2-16-7-8-17-14(19)12-9-13(20-18-12)10-3-5-11(15)6-4-10/h3-6,9,16H,2,7-8H2,1H3,(H,17,19).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119507911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).