N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide

C14H14Cl2N2O2 — CID 110679038

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide
SMILESO=C(CCc1cocn1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2/c15-11-2-1-10(13(16)7-11)5-6-17-14(19)4-3-12-8-20-9-18-12/h1-2,7-9H,3-6H2,(H,17,19)
InChIKeyDCJJSXWAZMOZKV-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.27
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide (PubChem CID 110679038) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide
PubChem CID110679038
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide
SMILESO=C(CCc1cocn1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2/c15-11-2-1-10(13(16)7-11)5-6-17-14(19)4-3-12-8-20-9-18-12/h1-2,7-9H,3-6H2,(H,17,19)
InChIKeyDCJJSXWAZMOZKV-UHFFFAOYSA-N
XLogP3.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
N-[2-(2,4-dichlorophenyl)ethyl]-3-pyridin-3-ylpropanamide
CID 9269490
N-[2-(2,4-dichlorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 110697902
N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385692
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
N-[2-(2,4-dichlorophenyl)ethyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 110388742
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 110685590
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216
4-(1,3-benzodioxol-5-yl)-N-[2-(2,4-dichlorophenyl)ethyl]-4-oxobutanamide
CID 110344658
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 46650943

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide (CID 110679038) is N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide is O=C(CCc1cocn1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide?
The InChIKey is DCJJSXWAZMOZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c15-11-2-1-10(13(16)7-11)5-6-17-14(19)4-3-12-8-20-9-18-12/h1-2,7-9H,3-6H2,(H,17,19).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide has a molecular weight of 313.18 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-(1,3-oxazol-4-yl)propanamide is sourced from PubChem (CID 110679038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).