N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide

C25H24N2O3 — CID 1364099

IUPACN-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c1
InChIInChI=1S/C25H24N2O3/c1-5-29-20-8-6-7-18(13-20)24(28)26-21-14-19(10-9-16(21)3)25-27-22-12-15(2)11-17(4)23(22)30-25/h6-14H,5H2,1-4H3,(H,26,28)
InChIKeyNIWVTHLGKDJUTC-UHFFFAOYSA-N
MW400.48 g/mol
LogP6.07
Rot. Bonds5

About N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide

N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide (PubChem CID 1364099) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide
PubChem CID1364099
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c1
InChIInChI=1S/C25H24N2O3/c1-5-29-20-8-6-7-18(13-20)24(28)26-21-14-19(10-9-16(21)3)25-27-22-12-15(2)11-17(4)23(22)30-25/h6-14H,5H2,1-4H3,(H,26,28)
InChIKeyNIWVTHLGKDJUTC-UHFFFAOYSA-N
XLogP6.07
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 1334018
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-iodobenzamide
CID 3962920
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 1496962
N-[4-[(5,7-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3-ethoxybenzamide
CID 54858052
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 1109001
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide
CID 3400845
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3,4-dimethoxybenzamide
CID 1138944
5-bromo-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methoxy-3-methylbenzamide
CID 3510723
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]hexanamide
CID 7123546
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-phenylmethoxybenzamide
CID 17314459
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-iodobenzamide
CID 3106200
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 1048152

Frequently Asked Questions

What is the IUPAC name of N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide?
The IUPAC name of N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide (CID 1364099) is N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide.
What is the SMILES notation for N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide?
The canonical SMILES for N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c1.
What is the InChIKey of N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide?
The InChIKey is NIWVTHLGKDJUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-5-29-20-8-6-7-18(13-20)24(28)26-21-14-19(10-9-16(21)3)25-27-22-12-15(2)11-17(4)23(22)30-25/h6-14H,5H2,1-4H3,(H,26,28).
What are the key properties of N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide?
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide has a molecular weight of 400.48 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide is sourced from PubChem (CID 1364099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).