N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide

C24H22N2O3 — CID 3400845

IUPACN-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1
InChIInChI=1S/C24H22N2O3/c1-4-28-20-7-5-6-17(13-20)23(27)25-19-10-11-22-21(14-19)26-24(29-22)18-9-8-15(2)16(3)12-18/h5-14H,4H2,1-3H3,(H,25,27)
InChIKeyHPNYDRLBBCKUAL-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.76
Rot. Bonds5

About N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide

N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide (PubChem CID 3400845) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide
PubChem CID3400845
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1
InChIInChI=1S/C24H22N2O3/c1-4-28-20-7-5-6-17(13-20)23(27)25-19-10-11-22-21(14-19)26-24(29-22)18-9-8-15(2)16(3)12-18/h5-14H,4H2,1-3H3,(H,25,27)
InChIKeyHPNYDRLBBCKUAL-UHFFFAOYSA-N
XLogP5.76
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127526
3-bromo-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 5120026
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide
CID 3395409
3-ethoxy-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 1337004
3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 7325876
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 743077
N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylmethoxybenzamide
CID 17113649
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
CID 2268437
3-[(2S)-butan-2-yl]oxy-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 39367733
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
CID 23908646
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-(2-methylpropoxy)benzamide
CID 17128533
4-bromo-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 5254350

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide (CID 3400845) is N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide?
The InChIKey is HPNYDRLBBCKUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-4-28-20-7-5-6-17(13-20)23(27)25-19-10-11-22-21(14-19)26-24(29-22)18-9-8-15(2)16(3)12-18/h5-14H,4H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide?
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide has a molecular weight of 386.45 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide is sourced from PubChem (CID 3400845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).