2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide

C18H19ClFN3O3 — CID 167268092

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide
SMILESC=C(CCc1nnc([C@@H]2C[C@H]2C)o1)NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C18H19ClFN3O3/c1-10-7-13(10)18-23-22-17(26-18)6-3-11(2)21-16(24)9-25-12-4-5-14(19)15(20)8-12/h4-5,8,10,13H,2-3,6-7,9H2,1H3,(H,21,24)/t10-,13-/m1/s1
InChIKeyCLVYCBNWQGBRMU-ZWNOBZJWSA-N
MW379.82 g/mol
LogP3.63
Rot. Bonds8

About 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide (PubChem CID 167268092) has the molecular formula C18H19ClFN3O3 and a molecular weight of 379.82 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide
PubChem CID167268092
Molecular FormulaC18H19ClFN3O3
Molecular Weight379.82 g/mol
Exact Mass379.11
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide
SMILESC=C(CCc1nnc([C@@H]2C[C@H]2C)o1)NC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C18H19ClFN3O3/c1-10-7-13(10)18-23-22-17(26-18)6-3-11(2)21-16(24)9-25-12-4-5-14(19)15(20)8-12/h4-5,8,10,13H,2-3,6-7,9H2,1H3,(H,21,24)/t10-,13-/m1/s1
InChIKeyCLVYCBNWQGBRMU-ZWNOBZJWSA-N
XLogP3.63
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
CID 167268926
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide
CID 165399649
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide
CID 155264535
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]pent-4-enamide
CID 166896148
4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
CID 155264716
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-2-phenylacetamide
CID 138632411
2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide
CID 167268053
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-4-methylpyridine-2-carboxamide
CID 170000150
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-1,3-benzoxazole-2-carboxamide
CID 155264613
(E)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 138632707
N-[(5Z)-5-amino-6-[amino-(3-cyanocyclobutyl)amino]hexa-1,5-dien-2-yl]-2-(4-chloro-3-fluorophenoxy)acetamide
CID 142528070

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide?
The IUPAC name of 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) is 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide is C=C(CCc1nnc([C@@H]2C[C@H]2C)o1)NC(=O)COc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide?
The InChIKey is CLVYCBNWQGBRMU-ZWNOBZJWSA-N. The full InChI is InChI=1S/C18H19ClFN3O3/c1-10-7-13(10)18-23-22-17(26-18)6-3-11(2)21-16(24)9-25-12-4-5-14(19)15(20)8-12/h4-5,8,10,13H,2-3,6-7,9H2,1H3,(H,21,24)/t10-,13-/m1/s1.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide has a molecular weight of 379.82 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide is sourced from PubChem (CID 167268092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).