2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide

C19H24N2O3 — CID 54553934

IUPAC2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide
SMILESCCN(C(=O)COc1nc2ccccc2o1)C1=C(C)CC(C)(C)C1
InChIInChI=1S/C19H24N2O3/c1-5-21(15-11-19(3,4)10-13(15)2)17(22)12-23-18-20-14-8-6-7-9-16(14)24-18/h6-9H,5,10-12H2,1-4H3
InChIKeyZLVRGWWVKVWINO-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.15
Rot. Bonds5

About 2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide

2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide (PubChem CID 54553934) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide
PubChem CID54553934
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide
SMILESCCN(C(=O)COc1nc2ccccc2o1)C1=C(C)CC(C)(C)C1
InChIInChI=1S/C19H24N2O3/c1-5-21(15-11-19(3,4)10-13(15)2)17(22)12-23-18-20-14-8-6-7-9-16(14)24-18/h6-9H,5,10-12H2,1-4H3
InChIKeyZLVRGWWVKVWINO-UHFFFAOYSA-N
XLogP4.15
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide
CID 12797660
2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide
CID 70276790
2-propoxy-1,3-benzoxazole
CID 23395170
1,3-benzoxazol-2-yl propanoate
CID 57266328
2-(2-methylpropoxy)-1,3-benzoxazole
CID 122485672
2-pentoxy-1,3-benzoxazole
CID 175319075
1-[(1S,4aS,4bR,6aS,8R,10aS,10bS,12aS)-8-hydroxy-8,10a,12a-trimethyl-2,3,4,4a,4b,5,6,6a,7,9,10,10b,11,12-tetradecahydro-1H-chrysen-1-yl]-2-(1,3-benzoxazol-2-yloxy)ethanone
CID 154991448
2-(1,3-benzoxazol-2-yloxy)acetic acid;N-methyl-4-methylsulfanylaniline
CID 70536719
1,3-benzoxazol-2-yl 2-phenylpropanoate
CID 174538916
ethyl 2-(1,3-benzoxazol-2-yl)-2-sulfanylacetate
CID 121221429
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-phenylacetamide
CID 8551594
methyl 3-[1,3-benzoxazol-2-yl(ethyl)amino]propanoate
CID 62007408

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide (CID 54553934) is 2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide is CCN(C(=O)COc1nc2ccccc2o1)C1=C(C)CC(C)(C)C1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide?
The InChIKey is ZLVRGWWVKVWINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-5-21(15-11-19(3,4)10-13(15)2)17(22)12-23-18-20-14-8-6-7-9-16(14)24-18/h6-9H,5,10-12H2,1-4H3.
What are the key properties of 2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide?
2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide has a molecular weight of 328.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide is sourced from PubChem (CID 54553934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).