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

C23H20N2O3 — CID 1109001

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1
InChIInChI=1S/C23H20N2O3/c1-3-27-18-12-10-16(11-13-18)22(26)24-20-14-17(9-8-15(20)2)23-25-19-6-4-5-7-21(19)28-23/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyRHLDUTGAGKRHRC-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.45
Rot. Bonds5

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

N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide (PubChem CID 1109001) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
PubChem CID1109001
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1
InChIInChI=1S/C23H20N2O3/c1-3-27-18-12-10-16(11-13-18)22(26)24-20-14-17(9-8-15(20)2)23-25-19-6-4-5-7-21(19)28-23/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyRHLDUTGAGKRHRC-UHFFFAOYSA-N
XLogP5.45
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxy-3-nitrobenzamide
CID 1364307
N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
CID 1361397
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
CID 3161340
4-ethoxy-N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 2997105
N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide
CID 5027281
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-methylbenzamide
CID 2995461
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2-dimethylpropanamide
CID 23102429
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 1364375
4-butan-2-yloxy-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
CID 17092486
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide
CID 1372017
N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 2263420
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide
CID 1364099

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide (CID 1109001) is N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide?
The InChIKey is RHLDUTGAGKRHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-3-27-18-12-10-16(11-13-18)22(26)24-20-14-17(9-8-15(20)2)23-25-19-6-4-5-7-21(19)28-23/h4-14H,3H2,1-2H3,(H,24,26).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide has a molecular weight of 372.42 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide is sourced from PubChem (CID 1109001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).