2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide

C20H19FN2O2 — CID 167776821

IUPAC2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(N(CC2CC2)C(=O)Cc2noc3ccccc23)cc1F
InChIInChI=1S/C20H19FN2O2/c1-13-6-9-15(10-17(13)21)23(12-14-7-8-14)20(24)11-18-16-4-2-3-5-19(16)25-22-18/h2-6,9-10,14H,7-8,11-12H2,1H3
InChIKeyUSFHRNSDIMGSCB-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.26
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 167776821) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID167776821
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(N(CC2CC2)C(=O)Cc2noc3ccccc23)cc1F
InChIInChI=1S/C20H19FN2O2/c1-13-6-9-15(10-17(13)21)23(12-14-7-8-14)20(24)11-18-16-4-2-3-5-19(16)25-22-18/h2-6,9-10,14H,7-8,11-12H2,1H3
InChIKeyUSFHRNSDIMGSCB-UHFFFAOYSA-N
XLogP4.26
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 136556663
N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 79113125
4-[cyclopropylmethyl-(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 167863859
N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide
CID 66182098
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid
CID 119203511
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-cyclopropylacetamide
CID 38283022
2-(1,2-benzoxazol-3-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119444392
2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55888858
2-(1,2-benzoxazol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 113337577
2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572973
3-[[2-(1,2-benzoxazol-3-yl)acetyl]-methylamino]propanoic acid
CID 60988386
2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 52572922

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide (CID 167776821) is 2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(N(CC2CC2)C(=O)Cc2noc3ccccc23)cc1F.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is USFHRNSDIMGSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-13-6-9-15(10-17(13)21)23(12-14-7-8-14)20(24)11-18-16-4-2-3-5-19(16)25-22-18/h2-6,9-10,14H,7-8,11-12H2,1H3.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 338.38 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(cyclopropylmethyl)-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 167776821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).