2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane

C21H26ClF4N3O5 — CID 142528155

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane
SMILESC1CCOC1.C=C(CC(C)c1nnco1)NC(=O)COc1ccc(Cl)c(F)c1.COC(F)(F)F
InChIInChI=1S/C15H15ClFN3O3.C4H8O.C2H3F3O/c1-9(15-20-18-8-23-15)5-10(2)19-14(21)7-22-11-3-4-12(16)13(17)6-11;1-2-4-5-3-1;1-6-2(3,4)5/h3-4,6,8-9H,2,5,7H2,1H3,(H,19,21);1-4H2;1H3
InChIKeyZFPSNKVWYAYSGZ-UHFFFAOYSA-N
MW511.90 g/mol
LogP5.01
Rot. Bonds7

About 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane

2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane (PubChem CID 142528155) has the molecular formula C21H26ClF4N3O5 and a molecular weight of 511.90 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane
PubChem CID142528155
Molecular FormulaC21H26ClF4N3O5
Molecular Weight511.90 g/mol
Exact Mass511.15
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane
SMILESC1CCOC1.C=C(CC(C)c1nnco1)NC(=O)COc1ccc(Cl)c(F)c1.COC(F)(F)F
InChIInChI=1S/C15H15ClFN3O3.C4H8O.C2H3F3O/c1-9(15-20-18-8-23-15)5-10(2)19-14(21)7-22-11-3-4-12(16)13(17)6-11;1-2-4-5-3-1;1-6-2(3,4)5/h3-4,6,8-9H,2,5,7H2,1H3,(H,19,21);1-4H2;1H3
InChIKeyZFPSNKVWYAYSGZ-UHFFFAOYSA-N
XLogP5.01
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.90
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide
CID 142528068
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide
CID 166896148
(E)-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enamide
CID 138632706
2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide
CID 167268053
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,5-dimethoxyphenyl)methyl]pent-4-enamide
CID 166896066
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide
CID 155264535
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide
CID 167268092
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-6-methoxypyridine-3-carboxamide
CID 155264448
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-4-methylpyridine-2-carboxamide
CID 170000150
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]pent-4-enamide
CID 166896238
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 155264774
5-acetamido-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]pyridine-3-carboxamide
CID 155265207

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane (CID 142528155) is 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane is C1CCOC1.C=C(CC(C)c1nnco1)NC(=O)COc1ccc(Cl)c(F)c1.COC(F)(F)F.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane?
The InChIKey is ZFPSNKVWYAYSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3.C4H8O.C2H3F3O/c1-9(15-20-18-8-23-15)5-10(2)19-14(21)7-22-11-3-4-12(16)13(17)6-11;1-2-4-5-3-1;1-6-2(3,4)5/h3-4,6,8-9H,2,5,7H2,1H3,(H,19,21);1-4H2;1H3.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane?
2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane has a molecular weight of 511.90 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)pent-1-en-2-yl]acetamide;oxolane;trifluoro(methoxy)methane is sourced from PubChem (CID 142528155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).