5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide

C20H25ClN2O4 — CID 42192548

IUPAC5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCN(C[C@@H]1CCCO1)C(=O)c1cc(COc2cc(C)c(Cl)c(C)c2)on1
InChIInChI=1S/C20H25ClN2O4/c1-4-23(11-15-6-5-7-25-15)20(24)18-10-17(27-22-18)12-26-16-8-13(2)19(21)14(3)9-16/h8-10,15H,4-7,11-12H2,1-3H3/t15-/m0/s1
InChIKeyZDGMFXRCSYVCDL-HNNXBMFYSA-N
MW392.88 g/mol
LogP4.16
Rot. Bonds7

About 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide

5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 42192548) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID42192548
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC Name5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCN(C[C@@H]1CCCO1)C(=O)c1cc(COc2cc(C)c(Cl)c(C)c2)on1
InChIInChI=1S/C20H25ClN2O4/c1-4-23(11-15-6-5-7-25-15)20(24)18-10-17(27-22-18)12-26-16-8-13(2)19(21)14(3)9-16/h8-10,15H,4-7,11-12H2,1-3H3/t15-/m0/s1
InChIKeyZDGMFXRCSYVCDL-HNNXBMFYSA-N
XLogP4.16
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42288730
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 25379111
5-[(3-methoxyphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 24791304
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide
CID 24817014
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96574907
4-chloro-N-ethyl-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81226969
N-(cyclobutylmethyl)-5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 45183054
N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95212814
N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 26322660
N-ethyl-4-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62179439
N-ethyl-5-(methylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 107374809
N-ethyl-4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62179440

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide (CID 42192548) is 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide is CCN(C[C@@H]1CCCO1)C(=O)c1cc(COc2cc(C)c(Cl)c(C)c2)on1.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZDGMFXRCSYVCDL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c1-4-23(11-15-6-5-7-25-15)20(24)18-10-17(27-22-18)12-26-16-8-13(2)19(21)14(3)9-16/h8-10,15H,4-7,11-12H2,1-3H3/t15-/m0/s1.
What are the key properties of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide?
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 392.88 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42192548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).