2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide

C16H12F2N2O3 — CID 8927421

IUPAC2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H12F2N2O3/c17-16(18)22-11-7-5-10(6-8-11)19-15(21)9-13-12-3-1-2-4-14(12)23-20-13/h1-8,16H,9H2,(H,19,21)
InChIKeyRZNWLONSQOXOBZ-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.61
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 8927421) has the molecular formula C16H12F2N2O3 and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID8927421
Molecular FormulaC16H12F2N2O3
Molecular Weight318.28 g/mol
Exact Mass318.08
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H12F2N2O3/c17-16(18)22-11-7-5-10(6-8-11)19-15(21)9-13-12-3-1-2-4-14(12)23-20-13/h1-8,16H,9H2,(H,19,21)
InChIKeyRZNWLONSQOXOBZ-UHFFFAOYSA-N
XLogP3.61
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 9180265
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 64781445
2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide
CID 9206772
2-(1,2-benzoxazol-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 9210932
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148080
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 108804388
N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide
CID 71890231
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9270620
2-(2-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7941085
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982857

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide (CID 8927421) is 2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide is O=C(Cc1noc2ccccc12)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is RZNWLONSQOXOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3/c17-16(18)22-11-7-5-10(6-8-11)19-15(21)9-13-12-3-1-2-4-14(12)23-20-13/h1-8,16H,9H2,(H,19,21).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 318.28 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 8927421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).