4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide

C31H35N3O5 — CID 10029925

IUPAC4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide
SMILESO=C(NC(CCc1ccccc1)C(=O)c1ncco1)C(CC(=O)N1CCOCC1)CC1CC1c1ccccc1
InChIInChI=1S/C31H35N3O5/c35-28(34-14-17-38-18-15-34)21-25(19-24-20-26(24)23-9-5-2-6-10-23)30(37)33-27(29(36)31-32-13-16-39-31)12-11-22-7-3-1-4-8-22/h1-10,13,16,24-27H,11-12,14-15,17-21H2,(H,33,37)
InChIKeyYQHMWORKCAYCIV-UHFFFAOYSA-N
MW529.64 g/mol
LogP4.03
Rot. Bonds12

About 4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide

4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide (PubChem CID 10029925) has the molecular formula C31H35N3O5 and a molecular weight of 529.64 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide
PubChem CID10029925
Molecular FormulaC31H35N3O5
Molecular Weight529.64 g/mol
Exact Mass529.26
IUPAC Name4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide
SMILESO=C(NC(CCc1ccccc1)C(=O)c1ncco1)C(CC(=O)N1CCOCC1)CC1CC1c1ccccc1
InChIInChI=1S/C31H35N3O5/c35-28(34-14-17-38-18-15-34)21-25(19-24-20-26(24)23-9-5-2-6-10-23)30(37)33-27(29(36)31-32-13-16-39-31)12-11-22-7-3-1-4-8-22/h1-10,13,16,24-27H,11-12,14-15,17-21H2,(H,33,37)
InChIKeyYQHMWORKCAYCIV-UHFFFAOYSA-N
XLogP4.03
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.64
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide?
The IUPAC name of 4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide (CID 10029925) is 4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide?
The canonical SMILES for 4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide is O=C(NC(CCc1ccccc1)C(=O)c1ncco1)C(CC(=O)N1CCOCC1)CC1CC1c1ccccc1.
What is the InChIKey of 4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide?
The InChIKey is YQHMWORKCAYCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O5/c35-28(34-14-17-38-18-15-34)21-25(19-24-20-26(24)23-9-5-2-6-10-23)30(37)33-27(29(36)31-32-13-16-39-31)12-11-22-7-3-1-4-8-22/h1-10,13,16,24-27H,11-12,14-15,17-21H2,(H,33,37).
What are the key properties of 4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide?
4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide has a molecular weight of 529.64 g/mol, XLogP of 4.03, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-4-oxo-2-[(2-phenylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 10029925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).