N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide

C17H21N3O3 — CID 110278820

IUPACN-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCC(NC(=O)CCC(=O)N1CCCC1)c1nc2ccccc2o1
InChIInChI=1S/C17H21N3O3/c1-12(17-19-13-6-2-3-7-14(13)23-17)18-15(21)8-9-16(22)20-10-4-5-11-20/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,21)
InChIKeySDJDQYWLXNFPFN-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.41
Rot. Bonds5

About N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide

N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 110278820) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID110278820
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCC(NC(=O)CCC(=O)N1CCCC1)c1nc2ccccc2o1
InChIInChI=1S/C17H21N3O3/c1-12(17-19-13-6-2-3-7-14(13)23-17)18-15(21)8-9-16(22)20-10-4-5-11-20/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,21)
InChIKeySDJDQYWLXNFPFN-UHFFFAOYSA-N
XLogP2.41
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110278882
N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 110278870
N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide
CID 110278943
N-[1-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]-1-oxo-4-pyrrolidin-1-ylbutan-2-yl]-5,5,5-trifluoropentanamide
CID 138554559
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide
CID 110278975
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 110278979
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 110278694
N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110278958
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110278714
4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
CID 40719548
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide
CID 110278925
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide
CID 110278744

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 110278820) is N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide is CC(NC(=O)CCC(=O)N1CCCC1)c1nc2ccccc2o1.
What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is SDJDQYWLXNFPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(17-19-13-6-2-3-7-14(13)23-17)18-15(21)8-9-16(22)20-10-4-5-11-20/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,21).
What are the key properties of N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 315.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 110278820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).