N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide

C26H23Cl2N3O2 — CID 60608120

IUPACN-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)N(Cc3ccc(Cl)c(Cl)c3)Cc3ccccn3)o2)cc1
InChIInChI=1S/C26H23Cl2N3O2/c1-18-5-8-20(9-6-18)24-15-30-25(33-24)11-12-26(32)31(17-21-4-2-3-13-29-21)16-19-7-10-22(27)23(28)14-19/h2-10,13-15H,11-12,16-17H2,1H3
InChIKeyJILNAXSWIVYEGD-UHFFFAOYSA-N
MW480.40 g/mol
LogP6.51
Rot. Bonds8

About N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide

N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 60608120) has the molecular formula C26H23Cl2N3O2 and a molecular weight of 480.40 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID60608120
Molecular FormulaC26H23Cl2N3O2
Molecular Weight480.40 g/mol
Exact Mass479.12
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)N(Cc3ccc(Cl)c(Cl)c3)Cc3ccccn3)o2)cc1
InChIInChI=1S/C26H23Cl2N3O2/c1-18-5-8-20(9-6-18)24-15-30-25(33-24)11-12-26(32)31(17-21-4-2-3-13-29-21)16-19-7-10-22(27)23(28)14-19/h2-10,13-15H,11-12,16-17H2,1H3
InChIKeyJILNAXSWIVYEGD-UHFFFAOYSA-N
XLogP6.51
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.40
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl-(2-phenylethyl)amino]acetic acid
CID 119347414
N-benzyl-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propanamide
CID 134011407
4-[[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56511531
N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 60622214
N-benzyl-N-(2-methoxyethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94562085
1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 9251492
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55518700
N-cyclopropyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 51314852
N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55580172
N-[(4-ethylphenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 134011097
4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide
CID 119878034
N-[(4-fluorophenyl)methyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51075029

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 60608120) is N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide is Cc1ccc(-c2cnc(CCC(=O)N(Cc3ccc(Cl)c(Cl)c3)Cc3ccccn3)o2)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is JILNAXSWIVYEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O2/c1-18-5-8-20(9-6-18)24-15-30-25(33-24)11-12-26(32)31(17-21-4-2-3-13-29-21)16-19-7-10-22(27)23(28)14-19/h2-10,13-15H,11-12,16-17H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide?
N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 480.40 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 60608120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).