benzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate

C24H22N4O4 — CID 68526332

IUPACbenzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(Nc1ncc(-c2ccc3[nH]ccc3c2)o1)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C24H22N4O4/c29-22(20-7-4-12-28(20)24(30)31-15-16-5-2-1-3-6-16)27-23-26-14-21(32-23)18-8-9-19-17(13-18)10-11-25-19/h1-3,5-6,8-11,13-14,20,25H,4,7,12,15H2,(H,26,27,29)
InChIKeyMPKWADBRNHBHPB-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.56
Rot. Bonds5

About benzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate

benzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 68526332) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is benzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID68526332
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Namebenzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(Nc1ncc(-c2ccc3[nH]ccc3c2)o1)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C24H22N4O4/c29-22(20-7-4-12-28(20)24(30)31-15-16-5-2-1-3-6-16)27-23-26-14-21(32-23)18-8-9-19-17(13-18)10-11-25-19/h1-3,5-6,8-11,13-14,20,25H,4,7,12,15H2,(H,26,27,29)
InChIKeyMPKWADBRNHBHPB-UHFFFAOYSA-N
XLogP4.56
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 58533215
benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
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CID 759070
benzyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate (CID 68526332) is benzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate is O=C(Nc1ncc(-c2ccc3[nH]ccc3c2)o1)C1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is MPKWADBRNHBHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c29-22(20-7-4-12-28(20)24(30)31-15-16-5-2-1-3-6-16)27-23-26-14-21(32-23)18-8-9-19-17(13-18)10-11-25-19/h1-3,5-6,8-11,13-14,20,25H,4,7,12,15H2,(H,26,27,29).
What are the key properties of benzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
benzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 430.46 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[5-(1H-indol-5-yl)-1,3-oxazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 68526332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).