2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide

C30H35N3O5 — CID 10029567

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide
SMILESO=C(N[C@@H](CCc1ccccc1)C(=O)c1ncco1)C(CCCc1ccccc1)CC(=O)N1CCOCC1
InChIInChI=1S/C30H35N3O5/c34-27(33-17-20-37-21-18-33)22-25(13-7-12-23-8-3-1-4-9-23)29(36)32-26(28(35)30-31-16-19-38-30)15-14-24-10-5-2-6-11-24/h1-6,8-11,16,19,25-26H,7,12-15,17-18,20-22H2,(H,32,36)/t25?,26-/m0/s1
InChIKeyXGOZQFOHRBXMJI-AMVUTOCUSA-N
MW517.63 g/mol
LogP3.86
Rot. Bonds13

About 2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide

2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide (PubChem CID 10029567) has the molecular formula C30H35N3O5 and a molecular weight of 517.63 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide
PubChem CID10029567
Molecular FormulaC30H35N3O5
Molecular Weight517.63 g/mol
Exact Mass517.26
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide
SMILESO=C(N[C@@H](CCc1ccccc1)C(=O)c1ncco1)C(CCCc1ccccc1)CC(=O)N1CCOCC1
InChIInChI=1S/C30H35N3O5/c34-27(33-17-20-37-21-18-33)22-25(13-7-12-23-8-3-1-4-9-23)29(36)32-26(28(35)30-31-16-19-38-30)15-14-24-10-5-2-6-11-24/h1-6,8-11,16,19,25-26H,7,12-15,17-18,20-22H2,(H,32,36)/t25?,26-/m0/s1
InChIKeyXGOZQFOHRBXMJI-AMVUTOCUSA-N
XLogP3.86
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide (CID 10029567) is 2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide is O=C(N[C@@H](CCc1ccccc1)C(=O)c1ncco1)C(CCCc1ccccc1)CC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide?
The InChIKey is XGOZQFOHRBXMJI-AMVUTOCUSA-N. The full InChI is InChI=1S/C30H35N3O5/c34-27(33-17-20-37-21-18-33)22-25(13-7-12-23-8-3-1-4-9-23)29(36)32-26(28(35)30-31-16-19-38-30)15-14-24-10-5-2-6-11-24/h1-6,8-11,16,19,25-26H,7,12-15,17-18,20-22H2,(H,32,36)/t25?,26-/m0/s1.
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide?
2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide has a molecular weight of 517.63 g/mol, XLogP of 3.86, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)-N-[(2S)-1-(1,3-oxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-5-phenylpentanamide is sourced from PubChem (CID 10029567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).