ethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate

C18H17Cl2N3O3 — CID 141192640

IUPACethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate
SMILESCCOC(=O)CC1=C(C)NC(c2ncco2)=NC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O3/c1-3-25-15(24)9-13-10(2)22-17(18-21-6-7-26-18)23-16(13)12-5-4-11(19)8-14(12)20/h4-8,16H,3,9H2,1-2H3,(H,22,23)
InChIKeyWLQZTBGZSKDTMU-UHFFFAOYSA-N
MW394.26 g/mol
LogP4.30
Rot. Bonds5

About ethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate

ethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate (PubChem CID 141192640) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is ethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate
PubChem CID141192640
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC Nameethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate
SMILESCCOC(=O)CC1=C(C)NC(c2ncco2)=NC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O3/c1-3-25-15(24)9-13-10(2)22-17(18-21-6-7-26-18)23-16(13)12-5-4-11(19)8-14(12)20/h4-8,16H,3,9H2,1-2H3,(H,22,23)
InChIKeyWLQZTBGZSKDTMU-UHFFFAOYSA-N
XLogP4.30
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate with MolForge

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Related Compounds

ethyl 4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 141253640
4-(2,4-dichlorophenyl)-2-[1-(2-ethoxy-2-oxoethyl)-1,2,4-triazol-3-yl]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid
CID 141354088
ethyl 4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-thiazol-4-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 118107604
ethyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate
CID 22960864
methyl 2-[4-(4-chlorophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidin-5-yl]acetate
CID 71195522
ethyl 4-(2,4-dichlorophenyl)-2-(1,3-thiazol-2-yl)-6-[[4-(2,2,2-trifluoroacetyl)pyrazin-1-yl]methyl]-1,4-dihydropyrimidine-5-carboxylate
CID 46852350
(1-ethoxy-1-oxopropan-2-yl) 6-(bromomethyl)-4-(2,4-dichlorophenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 122513751
4-[[4-(2,4-dichlorophenyl)-5-ethoxycarbonyl-2-pyrimidin-2-yl-1,4-dihydropyrimidin-6-yl]methyl]morpholine-2-carboxylic acid
CID 73297048
ethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2817097
ethyl 4-(4-chloro-2-ethynylphenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 167180269
ethyl 2-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)acetate
CID 132542519
ethyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(4-methyl-1,3-thiazol-5-yl)-1,4-dihydropyrimidine-5-carboxylate
CID 59272696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate?
The IUPAC name of ethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate (CID 141192640) is ethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate is CCOC(=O)CC1=C(C)NC(c2ncco2)=NC1c1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate?
The InChIKey is WLQZTBGZSKDTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c1-3-25-15(24)9-13-10(2)22-17(18-21-6-7-26-18)23-16(13)12-5-4-11(19)8-14(12)20/h4-8,16H,3,9H2,1-2H3,(H,22,23).
What are the key properties of ethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate?
ethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate has a molecular weight of 394.26 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2,4-dichlorophenyl)-6-methyl-2-(1,3-oxazol-2-yl)-1,4-dihydropyrimidin-5-yl]acetate is sourced from PubChem (CID 141192640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).