(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid

C30H28N2O7 — CID 23577831

About (3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid

(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid (PubChem CID 23577831) has the molecular formula C30H28N2O7 and a molecular weight of 528.56 g/mol. Its IUPAC name is (3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid.

Molecular Properties

• Compound Name: (3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid
• PubChem CID: 23577831
• Molecular Formula: C30H28N2O7
• Molecular Weight: 528.56 g/mol
• Exact Mass: 528.19
• IUPAC Name: (3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid
• SMILES: Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(C(=O)O)C(=O)Oc2cccc(OC3CC3)c2)c1
• InChI: InChI=1S/C30H28N2O7/c1-20-27(31-28(37-20)22-8-3-2-4-9-22)15-16-36-24-10-5-7-21(17-24)19-32(29(33)34)30(35)39-26-12-6-11-25(18-26)38-23-13-14-23/h2-12,17-18,23H,13-16,19H2,1H3,(H,33,34)
• InChIKey: YLPWBRYWSYLMJR-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 111.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.56
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid?

The IUPAC name of (3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid (CID 23577831) is (3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid.

What is the SMILES notation for (3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid?

The canonical SMILES for (3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid is Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(C(=O)O)C(=O)Oc2cccc(OC3CC3)c2)c1.

What is the InChIKey of (3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid?

The InChIKey is YLPWBRYWSYLMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O7/c1-20-27(31-28(37-20)22-8-3-2-4-9-22)15-16-36-24-10-5-7-21(17-24)19-32(29(33)34)30(35)39-26-12-6-11-25(18-26)38-23-13-14-23/h2-12,17-18,23H,13-16,19H2,1H3,(H,33,34).

What are the key properties of (3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid?

(3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid has a molecular weight of 528.56 g/mol, XLogP of 6.49, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3-cyclopropyloxyphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamic acid is sourced from PubChem (CID 23577831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).