benzyl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridin-4-yl-1,3-oxazolidine-3-carboxylate

C30H27N5O5S — CID 24956802

About benzyl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridin-4-yl-1,3-oxazolidine-3-carboxylate

benzyl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridin-4-yl-1,3-oxazolidine-3-carboxylate (PubChem CID 24956802) has the molecular formula C30H27N5O5S and a molecular weight of 569.64 g/mol. Its IUPAC name is benzyl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridin-4-yl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: benzyl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridin-4-yl-1,3-oxazolidine-3-carboxylate
• PubChem CID: 24956802
• Molecular Formula: C30H27N5O5S
• Molecular Weight: 569.64 g/mol
• Exact Mass: 569.17
• IUPAC Name: benzyl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridin-4-yl-1,3-oxazolidine-3-carboxylate
• SMILES: O=C(NC1CC1)c1ccc(-c2csc(NC(=O)C3COC(c4ccncc4)N3C(=O)OCc3ccccc3)n2)cc1
• InChI: InChI=1S/C30H27N5O5S/c36-26(32-23-10-11-23)21-8-6-20(7-9-21)24-18-41-29(33-24)34-27(37)25-17-39-28(22-12-14-31-15-13-22)35(25)30(38)40-16-19-4-2-1-3-5-19/h1-9,12-15,18,23,25,28H,10-11,16-17H2,(H,32,36)(H,33,34,37)
• InChIKey: MHLPWUQYKRGTBN-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 122.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.64
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridin-4-yl-1,3-oxazolidine-3-carboxylate?

The IUPAC name of benzyl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridin-4-yl-1,3-oxazolidine-3-carboxylate (CID 24956802) is benzyl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridin-4-yl-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for benzyl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridin-4-yl-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for benzyl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridin-4-yl-1,3-oxazolidine-3-carboxylate is O=C(NC1CC1)c1ccc(-c2csc(NC(=O)C3COC(c4ccncc4)N3C(=O)OCc3ccccc3)n2)cc1.

What is the InChIKey of benzyl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridin-4-yl-1,3-oxazolidine-3-carboxylate?

The InChIKey is MHLPWUQYKRGTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O5S/c36-26(32-23-10-11-23)21-8-6-20(7-9-21)24-18-41-29(33-24)34-27(37)25-17-39-28(22-12-14-31-15-13-22)35(25)30(38)40-16-19-4-2-1-3-5-19/h1-9,12-15,18,23,25,28H,10-11,16-17H2,(H,32,36)(H,33,34,37).

What are the key properties of benzyl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridin-4-yl-1,3-oxazolidine-3-carboxylate?

benzyl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridin-4-yl-1,3-oxazolidine-3-carboxylate has a molecular weight of 569.64 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridin-4-yl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 24956802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).