3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one

C20H25Cl2N3O2 — CID 23573145

IUPAC3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC1=NC(C(C)C)C(C)=NC1CC1COC(=O)N1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H25Cl2N3O2/c1-11(2)19-13(4)23-18(12(3)24-19)8-17-10-27-20(26)25(17)9-14-5-15(21)7-16(22)6-14/h5-7,11,17-19H,8-10H2,1-4H3
InChIKeyKECWLRMXQRZANK-UHFFFAOYSA-N
MW410.35 g/mol
LogP5.03
Rot. Bonds5

About 3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one

3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 23573145) has the molecular formula C20H25Cl2N3O2 and a molecular weight of 410.35 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID23573145
Molecular FormulaC20H25Cl2N3O2
Molecular Weight410.35 g/mol
Exact Mass409.13
IUPAC Name3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC1=NC(C(C)C)C(C)=NC1CC1COC(=O)N1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H25Cl2N3O2/c1-11(2)19-13(4)23-18(12(3)24-19)8-17-10-27-20(26)25(17)9-14-5-15(21)7-16(22)6-14/h5-7,11,17-19H,8-10H2,1-4H3
InChIKeyKECWLRMXQRZANK-UHFFFAOYSA-N
XLogP5.03
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.35
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one (CID 23573145) is 3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one is CC1=NC(C(C)C)C(C)=NC1CC1COC(=O)N1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is KECWLRMXQRZANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O2/c1-11(2)19-13(4)23-18(12(3)24-19)8-17-10-27-20(26)25(17)9-14-5-15(21)7-16(22)6-14/h5-7,11,17-19H,8-10H2,1-4H3.
What are the key properties of 3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one?
3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 410.35 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichlorophenyl)methyl]-4-[(3,6-dimethyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23573145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).