4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide

C27H28N2O2 — CID 23733257

IUPAC4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
SMILESCCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc2c1
InChIInChI=1S/C27H28N2O2/c1-6-18-8-14-24-23(15-18)29-26(31-24)20-9-7-17(2)22(16-20)28-25(30)19-10-12-21(13-11-19)27(3,4)5/h7-16H,6H2,1-5H3,(H,28,30)
InChIKeyDDFGQKRSEZXOEB-UHFFFAOYSA-N
MW412.53 g/mol
LogP6.92
Rot. Bonds4

About 4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide

4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide (PubChem CID 23733257) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
PubChem CID23733257
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
SMILESCCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc2c1
InChIInChI=1S/C27H28N2O2/c1-6-18-8-14-24-23(15-18)29-26(31-24)20-9-7-17(2)22(16-20)28-25(30)19-10-12-21(13-11-19)27(3,4)5/h7-16H,6H2,1-5H3,(H,28,30)
InChIKeyDDFGQKRSEZXOEB-UHFFFAOYSA-N
XLogP6.92
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1362957
N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-nitrobenzamide
CID 2901502
N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3,4-dimethoxybenzamide
CID 1138942
N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide
CID 23908779
4-tert-butyl-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide
CID 4027853
N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1362782
N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,4-dimethylbenzamide
CID 17092390
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 1109001
N-[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 2263420
4-tert-butyl-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857974
2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2721118
N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide
CID 5027281

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide (CID 23733257) is 4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide is CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc2c1.
What is the InChIKey of 4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide?
The InChIKey is DDFGQKRSEZXOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-6-18-8-14-24-23(15-18)29-26(31-24)20-9-7-17(2)22(16-20)28-25(30)19-10-12-21(13-11-19)27(3,4)5/h7-16H,6H2,1-5H3,(H,28,30).
What are the key properties of 4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide?
4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide has a molecular weight of 412.53 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide is sourced from PubChem (CID 23733257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).