N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide

C22H18N2O3 — CID 16911458

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1
InChIInChI=1S/C22H18N2O3/c1-26-18-9-4-6-15(12-18)13-21(25)23-17-8-5-7-16(14-17)22-24-19-10-2-3-11-20(19)27-22/h2-12,14H,13H2,1H3,(H,23,25)
InChIKeyUEBIFTJSRKVTSQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.68
Rot. Bonds5

About N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 16911458) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
PubChem CID16911458
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1
InChIInChI=1S/C22H18N2O3/c1-26-18-9-4-6-15(12-18)13-21(25)23-17-8-5-7-16(14-17)22-24-19-10-2-3-11-20(19)27-22/h2-12,14H,13H2,1H3,(H,23,25)
InChIKeyUEBIFTJSRKVTSQ-UHFFFAOYSA-N
XLogP4.68
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Benzoxazole, 2-(phenylmethyl)-
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Benzoxazole, 2-phenyl-
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2-p-Tolylbenzoxazole
CID 70039
2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
L 697639
CID 60832
L 696229
CID 72352
4,4'-Bis(2-benzoxazolyl)stilbene
CID 73744
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
CID 5332173

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide (CID 16911458) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is UEBIFTJSRKVTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-26-18-9-4-6-15(12-18)13-21(25)23-17-8-5-7-16(14-17)22-24-19-10-2-3-11-20(19)27-22/h2-12,14H,13H2,1H3,(H,23,25).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 358.40 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 16911458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).