1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one

C15H18N2O2 — CID 86283567

IUPAC1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one
SMILESCCc1nc2cc(CCN3CCCC3=O)ccc2o1
InChIInChI=1S/C15H18N2O2/c1-2-14-16-12-10-11(5-6-13(12)19-14)7-9-17-8-3-4-15(17)18/h5-6,10H,2-4,7-9H2,1H3
InChIKeyYWJHNDZCOWYNOJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.56
Rot. Bonds4

About 1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one

1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one (PubChem CID 86283567) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one
PubChem CID86283567
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one
SMILESCCc1nc2cc(CCN3CCCC3=O)ccc2o1
InChIInChI=1S/C15H18N2O2/c1-2-14-16-12-10-11(5-6-13(12)19-14)7-9-17-8-3-4-15(17)18/h5-6,10H,2-4,7-9H2,1H3
InChIKeyYWJHNDZCOWYNOJ-UHFFFAOYSA-N
XLogP2.56
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-1,3-benzoxazol-5-yl)acetate
CID 6986797
1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one
CID 10584340
2-benzyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzoxazole-5-carboxamide
CID 42122386
3-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]thiolane 1,1-dioxide
CID 70781094
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119290757
2-[(4-methoxyphenyl)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 25478646
amino-[2-amino-5-[2-(2-oxopyrrolidin-1-yl)ethyl]phenyl]-oxoazanium
CID 18176363
2-ethyl-1,3-benzoxazole-5-thiol
CID 131010364
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
N-methyl-1-(5-propyl-1,3-benzoxazol-2-yl)methanamine
CID 82230271

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one (CID 86283567) is 1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one is CCc1nc2cc(CCN3CCCC3=O)ccc2o1.
What is the InChIKey of 1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one?
The InChIKey is YWJHNDZCOWYNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-14-16-12-10-11(5-6-13(12)19-14)7-9-17-8-3-4-15(17)18/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of 1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one?
1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-1,3-benzoxazol-5-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 86283567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).