N-[1-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide

C48H61N9O7 — CID 91474413

About N-[1-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide

N-[1-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide (PubChem CID 91474413) has the molecular formula C48H61N9O7 and a molecular weight of 876.07 g/mol. Its IUPAC name is N-[1-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide
• PubChem CID: 91474413
• Molecular Formula: C48H61N9O7
• Molecular Weight: 876.07 g/mol
• Exact Mass: 875.47
• IUPAC Name: N-[1-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide
• SMILES: CCC(NC(=O)N1CCOCC1)C(=O)N1CCCC1c1ncc(C2CCC(c3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)N5CCOCC5)c5ccccc5)[nH]4)cc3)CC2)o1
• InChI: InChI=1S/C48H61N9O7/c1-2-37(52-47(60)54-22-26-62-27-23-54)45(58)57-21-7-11-40(57)44-50-31-41(64-44)35-18-14-33(15-19-35)32-12-16-34(17-13-32)38-30-49-43(51-38)39-10-6-20-56(39)46(59)42(36-8-4-3-5-9-36)53-48(61)55-24-28-63-29-25-55/h3-5,8-9,12-13,16-17,30-31,33,35,37,39-40,42H,2,6-7,10-11,14-15,18-29H2,1H3,(H,49,51)(H,52,60)(H,53,61)
• InChIKey: YAAVCXWKEZENRR-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 178.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	876.07
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide?

The IUPAC name of N-[1-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide (CID 91474413) is N-[1-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide.

What is the SMILES notation for N-[1-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide?

The canonical SMILES for N-[1-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide is CCC(NC(=O)N1CCOCC1)C(=O)N1CCCC1c1ncc(C2CCC(c3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)N5CCOCC5)c5ccccc5)[nH]4)cc3)CC2)o1.

What is the InChIKey of N-[1-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide?

The InChIKey is YAAVCXWKEZENRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H61N9O7/c1-2-37(52-47(60)54-22-26-62-27-23-54)45(58)57-21-7-11-40(57)44-50-31-41(64-44)35-18-14-33(15-19-35)32-12-16-34(17-13-32)38-30-49-43(51-38)39-10-6-20-56(39)46(59)42(36-8-4-3-5-9-36)53-48(61)55-24-28-63-29-25-55/h3-5,8-9,12-13,16-17,30-31,33,35,37,39-40,42H,2,6-7,10-11,14-15,18-29H2,1H3,(H,49,51)(H,52,60)(H,53,61).

What are the key properties of N-[1-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide?

N-[1-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide has a molecular weight of 876.07 g/mol, XLogP of 6.44, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[5-[4-[4-[2-[1-[2-(morpholine-4-carbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclohexyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 91474413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).