N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide

C25H28ClN3O3 — CID 24606784

IUPACN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CCc1ncc(-c2ccc(CC(C)C)cc2)o1
InChIInChI=1S/C25H28ClN3O3/c1-16(2)13-18-7-9-19(10-8-18)22-14-28-25(32-22)12-11-23(30)27-15-24(31)29-21-6-4-5-20(26)17(21)3/h4-10,14,16H,11-13,15H2,1-3H3,(H,27,30)(H,29,31)
InChIKeyIFYDAJNHUCXUJG-UHFFFAOYSA-N
MW453.97 g/mol
LogP5.19
Rot. Bonds9

About N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide (PubChem CID 24606784) has the molecular formula C25H28ClN3O3 and a molecular weight of 453.97 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
PubChem CID24606784
Molecular FormulaC25H28ClN3O3
Molecular Weight453.97 g/mol
Exact Mass453.18
IUPAC NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CCc1ncc(-c2ccc(CC(C)C)cc2)o1
InChIInChI=1S/C25H28ClN3O3/c1-16(2)13-18-7-9-19(10-8-18)22-14-28-25(32-22)12-11-23(30)27-15-24(31)29-21-6-4-5-20(26)17(21)3/h4-10,14,16H,11-13,15H2,1-3H3,(H,27,30)(H,29,31)
InChIKeyIFYDAJNHUCXUJG-UHFFFAOYSA-N
XLogP5.19
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.97
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41331644
N-[2-(3-fluorophenyl)ethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
CID 24607191
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 24645551
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16596029
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 60555563
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
2-(2-chloroethyl)-5-[4-(2-methylpropyl)phenyl]-1,3-oxazole
CID 43144307
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 24627726
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide
CID 38926559

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide (CID 24606784) is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide is Cc1c(Cl)cccc1NC(=O)CNC(=O)CCc1ncc(-c2ccc(CC(C)C)cc2)o1.
What is the InChIKey of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
The InChIKey is IFYDAJNHUCXUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O3/c1-16(2)13-18-7-9-19(10-8-18)22-14-28-25(32-22)12-11-23(30)27-15-24(31)29-21-6-4-5-20(26)17(21)3/h4-10,14,16H,11-13,15H2,1-3H3,(H,27,30)(H,29,31).
What are the key properties of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide has a molecular weight of 453.97 g/mol, XLogP of 5.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 24606784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).