3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione

C29H37ClFN5O6 — CID 70136315

IUPAC3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione
SMILESCC(C)=C1OC(=O)N(c2cc(OC3CCCC3)c(Cl)cc2F)C1=O.CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C
InChIInChI=1S/C17H17ClFNO4.C12H20N4O2/c1-9(2)15-16(21)20(17(22)24-15)13-8-14(11(18)7-12(13)19)23-10-5-3-4-6-10;1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h7-8,10H,3-6H2,1-2H3;9H,4-8H2,1-3H3
InChIKeyBRRFAEQYADJKNA-UHFFFAOYSA-N
MW606.10 g/mol
LogP5.09
Rot. Bonds5

About 3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione

3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione (PubChem CID 70136315) has the molecular formula C29H37ClFN5O6 and a molecular weight of 606.10 g/mol. Its IUPAC name is 3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione
PubChem CID70136315
Molecular FormulaC29H37ClFN5O6
Molecular Weight606.10 g/mol
Exact Mass605.24
IUPAC Name3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione
SMILESCC(C)=C1OC(=O)N(c2cc(OC3CCCC3)c(Cl)cc2F)C1=O.CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C
InChIInChI=1S/C17H17ClFNO4.C12H20N4O2/c1-9(2)15-16(21)20(17(22)24-15)13-8-14(11(18)7-12(13)19)23-10-5-3-4-6-10;1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h7-8,10H,3-6H2,1-2H3;9H,4-8H2,1-3H3
InChIKeyBRRFAEQYADJKNA-UHFFFAOYSA-N
XLogP5.09
TPSA115.97 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.10
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione?
The IUPAC name of 3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione (CID 70136315) is 3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione?
The canonical SMILES for 3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione is CC(C)=C1OC(=O)N(c2cc(OC3CCCC3)c(Cl)cc2F)C1=O.CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C.
What is the InChIKey of 3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione?
The InChIKey is BRRFAEQYADJKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO4.C12H20N4O2/c1-9(2)15-16(21)20(17(22)24-15)13-8-14(11(18)7-12(13)19)23-10-5-3-4-6-10;1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h7-8,10H,3-6H2,1-2H3;9H,4-8H2,1-3H3.
What are the key properties of 3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione?
3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione has a molecular weight of 606.10 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione;3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 70136315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).