2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide

C17H16N2O4 — CID 9255690

IUPAC2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2noc3ccccc23)cc(OC)c1
InChIInChI=1S/C17H16N2O4/c1-21-12-7-11(8-13(9-12)22-2)18-17(20)10-15-14-5-3-4-6-16(14)23-19-15/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyVSEODERADLVCQI-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.03
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 9255690) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID9255690
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2noc3ccccc23)cc(OC)c1
InChIInChI=1S/C17H16N2O4/c1-21-12-7-11(8-13(9-12)22-2)18-17(20)10-15-14-5-3-4-6-16(14)23-19-15/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyVSEODERADLVCQI-UHFFFAOYSA-N
XLogP3.03
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 9210932
2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
N-(3-acetamido-4-methoxyphenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 33310841
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9270620
2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 9180265
1-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)methanesulfonamide
CID 90624516
2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 46441550
2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 8927421
2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9162813
N-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-methoxyphenyl]-3-methylbutanamide
CID 50958245
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 64781445
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide (CID 9255690) is 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)Cc2noc3ccccc23)cc(OC)c1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is VSEODERADLVCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-21-12-7-11(8-13(9-12)22-2)18-17(20)10-15-14-5-3-4-6-16(14)23-19-15/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 9255690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).