N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

C16H14N2O3 — CID 1146260

IUPACN-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1ccc(-c2nc3cc(NC(C)=O)ccc3o2)cc1
InChIInChI=1S/C16H14N2O3/c1-10(19)17-12-5-8-15-14(9-12)18-16(21-15)11-3-6-13(20-2)7-4-11/h3-9H,1-2H3,(H,17,19)
InChIKeyTXHVMRZUHYVWOJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.46
Rot. Bonds3

About N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide

N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (PubChem CID 1146260) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
PubChem CID1146260
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
SMILESCOc1ccc(-c2nc3cc(NC(C)=O)ccc3o2)cc1
InChIInChI=1S/C16H14N2O3/c1-10(19)17-12-5-8-15-14(9-12)18-16(21-15)11-3-6-13(20-2)7-4-11/h3-9H,1-2H3,(H,17,19)
InChIKeyTXHVMRZUHYVWOJ-UHFFFAOYSA-N
XLogP3.46
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
CID 25187792
3,4-dichloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1338100
2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4135318
N-[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 880667
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 5017704
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]formamide
CID 168653056
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15993120
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 1336278
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 1327368

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide (CID 1146260) is N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is COc1ccc(-c2nc3cc(NC(C)=O)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
The InChIKey is TXHVMRZUHYVWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10(19)17-12-5-8-15-14(9-12)18-16(21-15)11-3-6-13(20-2)7-4-11/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide?
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide has a molecular weight of 282.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide is sourced from PubChem (CID 1146260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).