3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one

C20H26N2O5 — CID 139947559

IUPAC3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2=NOC(C(=O)N3C(=O)OCC3(C(C)C)C(C)C)C2)cc1
InChIInChI=1S/C20H26N2O5/c1-12(2)20(13(3)4)11-26-19(24)22(20)18(23)17-10-16(21-27-17)14-6-8-15(25-5)9-7-14/h6-9,12-13,17H,10-11H2,1-5H3
InChIKeyCKGZCPSBKLGGJH-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.22
Rot. Bonds5

About 3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one

3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one (PubChem CID 139947559) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one
PubChem CID139947559
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2=NOC(C(=O)N3C(=O)OCC3(C(C)C)C(C)C)C2)cc1
InChIInChI=1S/C20H26N2O5/c1-12(2)20(13(3)4)11-26-19(24)22(20)18(23)17-10-16(21-27-17)14-6-8-15(25-5)9-7-14/h6-9,12-13,17H,10-11H2,1-5H3
InChIKeyCKGZCPSBKLGGJH-UHFFFAOYSA-N
XLogP3.22
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one (CID 139947559) is 3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one is COc1ccc(C2=NOC(C(=O)N3C(=O)OCC3(C(C)C)C(C)C)C2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is CKGZCPSBKLGGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-12(2)20(13(3)4)11-26-19(24)22(20)18(23)17-10-16(21-27-17)14-6-8-15(25-5)9-7-14/h6-9,12-13,17H,10-11H2,1-5H3.
What are the key properties of 3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one?
3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-4,4-di(propan-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 139947559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).