N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide

C17H21ClN2O2 — CID 134003985

IUPACN-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
SMILESCc1noc(C)c1CCC(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O2/c1-11-16(13(3)22-19-11)9-10-17(21)20(4)12(2)14-5-7-15(18)8-6-14/h5-8,12H,9-10H2,1-4H3
InChIKeyFUROQFINZUTEAD-UHFFFAOYSA-N
MW320.82 g/mol
LogP4.10
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide

N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide (PubChem CID 134003985) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
PubChem CID134003985
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
SMILESCc1noc(C)c1CCC(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O2/c1-11-16(13(3)22-19-11)9-10-17(21)20(4)12(2)14-5-7-15(18)8-6-14/h5-8,12H,9-10H2,1-4H3
InChIKeyFUROQFINZUTEAD-UHFFFAOYSA-N
XLogP4.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46588539
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylpropanamide
CID 60645997
N-[1-(4-chlorophenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 56822533
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)propanamide
CID 78847324
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54870564
6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 54870705
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
N-(4-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]propanamide
CID 8834206
N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 86908122
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid
CID 43239752
N-[1-(4-chlorophenyl)ethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylpropanamide
CID 86944243

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide (CID 134003985) is N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide is Cc1noc(C)c1CCC(=O)N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
The InChIKey is FUROQFINZUTEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-11-16(13(3)22-19-11)9-10-17(21)20(4)12(2)14-5-7-15(18)8-6-14/h5-8,12H,9-10H2,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide has a molecular weight of 320.82 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide is sourced from PubChem (CID 134003985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).