N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide

C24H22N2O3 — CID 17027173

IUPACN-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
SMILESCCc1ccc2oc(-c3cccc(NC(=O)c4cccc(C)c4OC)c3)nc2c1
InChIInChI=1S/C24H22N2O3/c1-4-16-11-12-21-20(13-16)26-24(29-21)17-8-6-9-18(14-17)25-23(27)19-10-5-7-15(2)22(19)28-3/h5-14H,4H2,1-3H3,(H,25,27)
InChIKeyCZKNHNMXPTUVED-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.63
Rot. Bonds5

About N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide

N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide (PubChem CID 17027173) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
PubChem CID17027173
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
SMILESCCc1ccc2oc(-c3cccc(NC(=O)c4cccc(C)c4OC)c3)nc2c1
InChIInChI=1S/C24H22N2O3/c1-4-16-11-12-21-20(13-16)26-24(29-21)17-8-6-9-18(14-17)25-23(27)19-10-5-7-15(2)22(19)28-3/h5-14H,4H2,1-3H3,(H,25,27)
InChIKeyCZKNHNMXPTUVED-UHFFFAOYSA-N
XLogP5.63
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 ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 3966966
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 17162616
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxybenzamide
CID 1364095
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17128462
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]pyridine-4-carboxamide
CID 777133
2-methoxy-3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996116
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 17100843
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzamide
CID 1363898
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide
CID 2840256
N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 5144160
N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide
CID 1138940
2-methoxy-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4201345

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide?
The IUPAC name of N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide (CID 17027173) is N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide is CCc1ccc2oc(-c3cccc(NC(=O)c4cccc(C)c4OC)c3)nc2c1.
What is the InChIKey of N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide?
The InChIKey is CZKNHNMXPTUVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-4-16-11-12-21-20(13-16)26-24(29-21)17-8-6-9-18(14-17)25-23(27)19-10-5-7-15(2)22(19)28-3/h5-14H,4H2,1-3H3,(H,25,27).
What are the key properties of N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide?
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide has a molecular weight of 386.45 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 17027173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).