(1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate

C32H35N5O5 — CID 10076722

About (1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate

(1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate (PubChem CID 10076722) has the molecular formula C32H35N5O5 and a molecular weight of 569.66 g/mol. Its IUPAC name is (1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: (1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
• PubChem CID: 10076722
• Molecular Formula: C32H35N5O5
• Molecular Weight: 569.66 g/mol
• Exact Mass: 569.26
• IUPAC Name: (1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
• SMILES: COc1cc(NC(=O)Nc2cccc(CNC(=O)OC(CCN3CCCC3)c3ccccc3)c2)ccc1-c1cnco1
• InChI: InChI=1S/C32H35N5O5/c1-40-29-19-26(12-13-27(29)30-21-33-22-41-30)36-31(38)35-25-11-7-8-23(18-25)20-34-32(39)42-28(24-9-3-2-4-10-24)14-17-37-15-5-6-16-37/h2-4,7-13,18-19,21-22,28H,5-6,14-17,20H2,1H3,(H,34,39)(H2,35,36,38)
• InChIKey: OQECRTXECQMJEP-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 117.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.66
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?

The IUPAC name of (1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate (CID 10076722) is (1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate.

What is the SMILES notation for (1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?

The canonical SMILES for (1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate is COc1cc(NC(=O)Nc2cccc(CNC(=O)OC(CCN3CCCC3)c3ccccc3)c2)ccc1-c1cnco1.

What is the InChIKey of (1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?

The InChIKey is OQECRTXECQMJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O5/c1-40-29-19-26(12-13-27(29)30-21-33-22-41-30)36-31(38)35-25-11-7-8-23(18-25)20-34-32(39)42-28(24-9-3-2-4-10-24)14-17-37-15-5-6-16-37/h2-4,7-13,18-19,21-22,28H,5-6,14-17,20H2,1H3,(H,34,39)(H2,35,36,38).

What are the key properties of (1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?

(1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate has a molecular weight of 569.66 g/mol, XLogP of 6.45, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate is sourced from PubChem (CID 10076722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).