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

C14H15N3O3 — CID 110741831

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCCc2nc3ccccc3o2)N1
InChIInChI=1S/C14H15N3O3/c18-12-6-5-10(16-12)14(19)15-8-7-13-17-9-3-1-2-4-11(9)20-13/h1-4,10H,5-8H2,(H,15,19)(H,16,18)
InChIKeyPNHNHOVLSAGAHI-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.77
Rot. Bonds4

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

N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110741831) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110741831
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCCc2nc3ccccc3o2)N1
InChIInChI=1S/C14H15N3O3/c18-12-6-5-10(16-12)14(19)15-8-7-13-17-9-3-1-2-4-11(9)20-13/h1-4,10H,5-8H2,(H,15,19)(H,16,18)
InChIKeyPNHNHOVLSAGAHI-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

(1S,2R,4S,5R)-N-[2-(1,3-benzoxazol-2-yl)ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 119070473
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-propanoylpiperidine-4-carboxamide
CID 118764984
(3R,4S)-N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
CID 157014343
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide
CID 91766973
N-[2-(1,3-benzoxazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741045
(2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 95059523
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
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-2-yl)ethyl]-2-bromobenzamide
CID 110711791
5-oxo-N-[(E)-4-phenylbut-3-enyl]pyrrolidine-2-carboxamide
CID 110667574
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110796152

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 110741831) is N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)NCCc2nc3ccccc3o2)N1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is PNHNHOVLSAGAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-12-6-5-10(16-12)14(19)15-8-7-13-17-9-3-1-2-4-11(9)20-13/h1-4,10H,5-8H2,(H,15,19)(H,16,18).
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(1,3-benzoxazol-2-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-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110741831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).