4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid

C17H22N4O5 — CID 122013689

IUPAC4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESNC(=O)C1=NOC(CNC(=O)NC(CCC(=O)O)Cc2ccccc2)C1
InChIInChI=1S/C17H22N4O5/c18-16(24)14-9-13(26-21-14)10-19-17(25)20-12(6-7-15(22)23)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H2,18,24)(H,22,23)(H2,19,20,25)
InChIKeyASIZXETZNCFSBM-UHFFFAOYSA-N
MW362.39 g/mol
LogP0.39
Rot. Bonds9

About 4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid

4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122013689) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122013689
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESNC(=O)C1=NOC(CNC(=O)NC(CCC(=O)O)Cc2ccccc2)C1
InChIInChI=1S/C17H22N4O5/c18-16(24)14-9-13(26-21-14)10-19-17(25)20-12(6-7-15(22)23)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H2,18,24)(H,22,23)(H2,19,20,25)
InChIKeyASIZXETZNCFSBM-UHFFFAOYSA-N
XLogP0.39
TPSA143.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid (CID 122013689) is 4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid is NC(=O)C1=NOC(CNC(=O)NC(CCC(=O)O)Cc2ccccc2)C1.
What is the InChIKey of 4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is ASIZXETZNCFSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c18-16(24)14-9-13(26-21-14)10-19-17(25)20-12(6-7-15(22)23)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H2,18,24)(H,22,23)(H2,19,20,25).
What are the key properties of 4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid?
4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid has a molecular weight of 362.39 g/mol, XLogP of 0.39, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-carbamoyl-4,5-dihydro-1,2-oxazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122013689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).