4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid

C19H25NO6 — CID 19971702

IUPAC4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid
SMILESCOc1ccc(C2OC(C(=O)O)C(C3CC3)N2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H25NO6/c1-19(2,3)26-18(23)20-14(11-5-6-11)15(17(21)22)25-16(20)12-7-9-13(24-4)10-8-12/h7-11,14-16H,5-6H2,1-4H3,(H,21,22)
InChIKeyPVPZYVAQDODYPU-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.19
Rot. Bonds4

About 4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid

4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid (PubChem CID 19971702) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid
PubChem CID19971702
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid
SMILESCOc1ccc(C2OC(C(=O)O)C(C3CC3)N2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H25NO6/c1-19(2,3)26-18(23)20-14(11-5-6-11)15(17(21)22)25-16(20)12-7-9-13(24-4)10-8-12/h7-11,14-16H,5-6H2,1-4H3,(H,21,22)
InChIKeyPVPZYVAQDODYPU-UHFFFAOYSA-N
XLogP3.19
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid (CID 19971702) is 4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid is COc1ccc(C2OC(C(=O)O)C(C3CC3)N2C(=O)OC(C)(C)C)cc1.
What is the InChIKey of 4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is PVPZYVAQDODYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6/c1-19(2,3)26-18(23)20-14(11-5-6-11)15(17(21)22)25-16(20)12-7-9-13(24-4)10-8-12/h7-11,14-16H,5-6H2,1-4H3,(H,21,22).
What are the key properties of 4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid?
4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 363.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 19971702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).