N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide

C23H29N5O6 — CID 22058543

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)C(=O)N2CCC(NCC(C)=O)C2)ccc1-c1cnco1
InChIInChI=1S/C23H29N5O6/c1-14(29)10-25-16-7-8-28(12-16)22(32)23(2,3)27-21(31)20(30)26-15-5-6-17(18(9-15)33-4)19-11-24-13-34-19/h5-6,9,11,13,16,25H,7-8,10,12H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyMYDLLBGOQNQMBY-UHFFFAOYSA-N
MW471.51 g/mol
LogP0.96
Rot. Bonds8

About N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide (PubChem CID 22058543) has the molecular formula C23H29N5O6 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide
PubChem CID22058543
Molecular FormulaC23H29N5O6
Molecular Weight471.51 g/mol
Exact Mass471.21
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide
SMILESCOc1cc(NC(=O)C(=O)NC(C)(C)C(=O)N2CCC(NCC(C)=O)C2)ccc1-c1cnco1
InChIInChI=1S/C23H29N5O6/c1-14(29)10-25-16-7-8-28(12-16)22(32)23(2,3)27-21(31)20(30)26-15-5-6-17(18(9-15)33-4)19-11-24-13-34-19/h5-6,9,11,13,16,25H,7-8,10,12H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyMYDLLBGOQNQMBY-UHFFFAOYSA-N
XLogP0.96
TPSA142.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide (CID 22058543) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide is COc1cc(NC(=O)C(=O)NC(C)(C)C(=O)N2CCC(NCC(C)=O)C2)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide?
The InChIKey is MYDLLBGOQNQMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O6/c1-14(29)10-25-16-7-8-28(12-16)22(32)23(2,3)27-21(31)20(30)26-15-5-6-17(18(9-15)33-4)19-11-24-13-34-19/h5-6,9,11,13,16,25H,7-8,10,12H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide has a molecular weight of 471.51 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-oxo-1-[3-(2-oxopropylamino)pyrrolidin-1-yl]propan-2-yl]oxamide is sourced from PubChem (CID 22058543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).