2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole

C20H23Cl2N5O4 — CID 118071941

IUPAC2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cn1cc(N2CCNC2)cn1.O=C(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17N5O.C8H6Cl2O3/c1-9-12(10(2)18-15-9)7-17-6-11(5-14-17)16-4-3-13-8-16;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h5-6,13H,3-4,7-8H2,1-2H3;1-3H,4H2,(H,11,12)
InChIKeyMVNXQIYTSPTGOE-UHFFFAOYSA-N
MW468.34 g/mol
LogP3.36
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole

2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 118071941) has the molecular formula C20H23Cl2N5O4 and a molecular weight of 468.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID118071941
Molecular FormulaC20H23Cl2N5O4
Molecular Weight468.34 g/mol
Exact Mass467.11
IUPAC Name2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cn1cc(N2CCNC2)cn1.O=C(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17N5O.C8H6Cl2O3/c1-9-12(10(2)18-15-9)7-17-6-11(5-14-17)16-4-3-13-8-16;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h5-6,13H,3-4,7-8H2,1-2H3;1-3H,4H2,(H,11,12)
InChIKeyMVNXQIYTSPTGOE-UHFFFAOYSA-N
XLogP3.36
TPSA105.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3,5-triazinan-2-one
CID 57422418
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid
CID 167808293
2-[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(hydroxymethyl)imidazolidin-4-yl]-2-oxoacetaldehyde
CID 174616159
1-(3-chlorophenyl)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]ethanone
CID 58409638
(E)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enoic acid
CID 122240811
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidin-4-one
CID 123607356
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771438
3,5-dimethyl-4-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 71981003

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (CID 118071941) is 2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1Cn1cc(N2CCNC2)cn1.O=C(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is MVNXQIYTSPTGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O.C8H6Cl2O3/c1-9-12(10(2)18-15-9)7-17-6-11(5-14-17)16-4-3-13-8-16;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h5-6,13H,3-4,7-8H2,1-2H3;1-3H,4H2,(H,11,12).
What are the key properties of 2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 468.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)acetic acid;4-[(4-imidazolidin-1-ylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 118071941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).