4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide

C19H21N5O5 — CID 123606649

IUPAC4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CC(=O)N2CC(O)CC2C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)on1
InChIInChI=1S/C19H21N5O5/c1-10-4-13(29-23-10)7-17(26)24-9-12(25)6-16(24)18(27)20-8-11-2-3-14-15(5-11)22-19(28)21-14/h2-5,12,16,25H,6-9H2,1H3,(H,20,27)(H2,21,22,28)
InChIKeyVPXGUOMDXKZUTA-UHFFFAOYSA-N
MW399.41 g/mol
LogP-0.03
Rot. Bonds5

About 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide

4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 123606649) has the molecular formula C19H21N5O5 and a molecular weight of 399.41 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID123606649
Molecular FormulaC19H21N5O5
Molecular Weight399.41 g/mol
Exact Mass399.15
IUPAC Name4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(CC(=O)N2CC(O)CC2C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)on1
InChIInChI=1S/C19H21N5O5/c1-10-4-13(29-23-10)7-17(26)24-9-12(25)6-16(24)18(27)20-8-11-2-3-14-15(5-11)22-19(28)21-14/h2-5,12,16,25H,6-9H2,1H3,(H,20,27)(H2,21,22,28)
InChIKeyVPXGUOMDXKZUTA-UHFFFAOYSA-N
XLogP-0.03
TPSA144.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide (CID 123606649) is 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide is Cc1cc(CC(=O)N2CC(O)CC2C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)on1.
What is the InChIKey of 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is VPXGUOMDXKZUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O5/c1-10-4-13(29-23-10)7-17(26)24-9-12(25)6-16(24)18(27)20-8-11-2-3-14-15(5-11)22-19(28)21-14/h2-5,12,16,25H,6-9H2,1H3,(H,20,27)(H2,21,22,28).
What are the key properties of 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 399.41 g/mol, XLogP of -0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123606649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).