N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide

C27H28N2O3 — CID 17360136

IUPACN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc3nc(-c4ccc(C(C)(C)C)cc4)oc3c2)cc1
InChIInChI=1S/C27H28N2O3/c1-27(2,3)20-10-8-19(9-11-20)26-29-23-15-12-21(17-24(23)32-26)28-25(30)16-7-18-5-13-22(31-4)14-6-18/h5-6,8-15,17H,7,16H2,1-4H3,(H,28,30)
InChIKeyYWJCWQZFZMDXTH-UHFFFAOYSA-N
MW428.53 g/mol
LogP6.37
Rot. Bonds6

About N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 17360136) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID17360136
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc3nc(-c4ccc(C(C)(C)C)cc4)oc3c2)cc1
InChIInChI=1S/C27H28N2O3/c1-27(2,3)20-10-8-19(9-11-20)26-29-23-15-12-21(17-24(23)32-26)28-25(30)16-7-18-5-13-22(31-4)14-6-18/h5-6,8-15,17H,7,16H2,1-4H3,(H,28,30)
InChIKeyYWJCWQZFZMDXTH-UHFFFAOYSA-N
XLogP6.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide
CID 7326619
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17172258
2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2721118
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15994049
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092662
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2,2-dimethylpropanamide
CID 17101697
3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-methoxyphenyl)propanamide
CID 59266075

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide (CID 17360136) is N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc3nc(-c4ccc(C(C)(C)C)cc4)oc3c2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is YWJCWQZFZMDXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-27(2,3)20-10-8-19(9-11-20)26-29-23-15-12-21(17-24(23)32-26)28-25(30)16-7-18-5-13-22(31-4)14-6-18/h5-6,8-15,17H,7,16H2,1-4H3,(H,28,30).
What are the key properties of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide?
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 428.53 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 17360136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).