N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

C14H15N3O3 — CID 110741045

IUPACN-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCCc2ccc3ocnc3c2)N1
InChIInChI=1S/C14H15N3O3/c18-13-4-2-10(17-13)14(19)15-6-5-9-1-3-12-11(7-9)16-8-20-12/h1,3,7-8,10H,2,4-6H2,(H,15,19)(H,17,18)
InChIKeyAXRAHVNDPVFYOI-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.77
Rot. Bonds4

About N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110741045) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110741045
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCCc2ccc3ocnc3c2)N1
InChIInChI=1S/C14H15N3O3/c18-13-4-2-10(17-13)14(19)15-6-5-9-1-3-12-11(7-9)16-8-20-12/h1,3,7-8,10H,2,4-6H2,(H,15,19)(H,17,18)
InChIKeyAXRAHVNDPVFYOI-UHFFFAOYSA-N
XLogP0.77
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110796152
methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate
CID 110707385
N-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795843
N-[2-(3-chloro-4-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795926
N-[2-(1,3-benzoxazol-5-yl)ethyl]adamantane-1-carboxamide
CID 110707389
N-[2-(1,3-benzoxazol-6-yl)ethyl]cyclohexanecarboxamide
CID 110790911
(2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
CID 146133576
N-(1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110744616
N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741831
N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110667340
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110666431
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110707373

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 110741045) is N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)NCCc2ccc3ocnc3c2)N1.
What is the InChIKey of N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is AXRAHVNDPVFYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13-4-2-10(17-13)14(19)15-6-5-9-1-3-12-11(7-9)16-8-20-12/h1,3,7-8,10H,2,4-6H2,(H,15,19)(H,17,18).
What are the key properties of N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110741045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).