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

C26H23ClN2O3 — CID 46277613

IUPACN-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
SMILESCc1ccc(OCc2nc(-c3ccc(C(=O)Nc4cccc(Cl)c4C)cc3)oc2C)cc1
InChIInChI=1S/C26H23ClN2O3/c1-16-7-13-21(14-8-16)31-15-24-18(3)32-26(29-24)20-11-9-19(10-12-20)25(30)28-23-6-4-5-22(27)17(23)2/h4-14H,15H2,1-3H3,(H,28,30)
InChIKeyWPPWMXDABUNNRW-UHFFFAOYSA-N
MW446.93 g/mol
LogP6.75
Rot. Bonds6

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

N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide (PubChem CID 46277613) has the molecular formula C26H23ClN2O3 and a molecular weight of 446.93 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
PubChem CID46277613
Molecular FormulaC26H23ClN2O3
Molecular Weight446.93 g/mol
Exact Mass446.14
IUPAC NameN-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
SMILESCc1ccc(OCc2nc(-c3ccc(C(=O)Nc4cccc(Cl)c4C)cc3)oc2C)cc1
InChIInChI=1S/C26H23ClN2O3/c1-16-7-13-21(14-8-16)31-15-24-18(3)32-26(29-24)20-11-9-19(10-12-20)25(30)28-23-6-4-5-22(27)17(23)2/h4-14H,15H2,1-3H3,(H,28,30)
InChIKeyWPPWMXDABUNNRW-UHFFFAOYSA-N
XLogP6.75
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide with MolForge

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Related Compounds

methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 46277609
N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916670
4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916648
N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 45106624
N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916684
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916591
5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 20993932
N-[(2,3-dimethoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916680
4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)benzamide
CID 20916598
4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 53213294
N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide
CID 3562657
[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 20916689

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide (CID 46277613) is N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide is Cc1ccc(OCc2nc(-c3ccc(C(=O)Nc4cccc(Cl)c4C)cc3)oc2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide?
The InChIKey is WPPWMXDABUNNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O3/c1-16-7-13-21(14-8-16)31-15-24-18(3)32-26(29-24)20-11-9-19(10-12-20)25(30)28-23-6-4-5-22(27)17(23)2/h4-14H,15H2,1-3H3,(H,28,30).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide?
N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide has a molecular weight of 446.93 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 46277613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).