N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide

C27H26N2O3S — CID 20916738

IUPACN-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3nc(CSc4ccc(C)cc4)c(C)o3)cc2)c1
InChIInChI=1S/C27H26N2O3S/c1-18-7-13-24(14-8-18)33-17-25-19(2)32-27(29-25)22-11-9-21(10-12-22)26(30)28-16-20-5-4-6-23(15-20)31-3/h4-15H,16-17H2,1-3H3,(H,28,30)
InChIKeyHMYRJUKZNDEZOP-UHFFFAOYSA-N
MW458.58 g/mol
LogP6.19
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide

N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide (PubChem CID 20916738) has the molecular formula C27H26N2O3S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
PubChem CID20916738
Molecular FormulaC27H26N2O3S
Molecular Weight458.58 g/mol
Exact Mass458.17
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3nc(CSc4ccc(C)cc4)c(C)o3)cc2)c1
InChIInChI=1S/C27H26N2O3S/c1-18-7-13-24(14-8-18)33-17-25-19(2)32-27(29-25)22-11-9-21(10-12-22)26(30)28-16-20-5-4-6-23(15-20)31-3/h4-15H,16-17H2,1-3H3,(H,28,30)
InChIKeyHMYRJUKZNDEZOP-UHFFFAOYSA-N
XLogP6.19
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277670
N-benzyl-4-[4-[(3-methoxyphenyl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzamide
CID 71471936
N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916684
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
N-[(2-ethoxyphenyl)methyl]-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 20916833
N-butyl-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 20916826
N-(4-chlorophenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277666
3-methoxy-N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415245
2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 20860061
N-benzyl-4-[5-methyl-4-[[(S)-(4-methylphenyl)sulfinyl]methyl]-1,3-oxazol-2-yl]benzamide
CID 92706258
N-[2-(3-methoxyphenyl)ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411406
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide (CID 20916738) is N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide is COc1cccc(CNC(=O)c2ccc(-c3nc(CSc4ccc(C)cc4)c(C)o3)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide?
The InChIKey is HMYRJUKZNDEZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3S/c1-18-7-13-24(14-8-18)33-17-25-19(2)32-27(29-25)22-11-9-21(10-12-22)26(30)28-16-20-5-4-6-23(15-20)31-3/h4-15H,16-17H2,1-3H3,(H,28,30).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide?
N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide has a molecular weight of 458.58 g/mol, XLogP of 6.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 20916738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).