(5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one

C12H18N2O3 — CID 100928844

IUPAC(5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one
SMILESCCO[C@H]1CCC(=O)N1CCc1cc(C)no1
InChIInChI=1S/C12H18N2O3/c1-3-16-12-5-4-11(15)14(12)7-6-10-8-9(2)13-17-10/h8,12H,3-7H2,1-2H3/t12-/m0/s1
InChIKeyPVTCLVDUHDNIOB-LBPRGKRZSA-N
MW238.29 g/mol
LogP1.51
Rot. Bonds5

About (5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one

(5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one (PubChem CID 100928844) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one
PubChem CID100928844
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one
SMILESCCO[C@H]1CCC(=O)N1CCc1cc(C)no1
InChIInChI=1S/C12H18N2O3/c1-3-16-12-5-4-11(15)14(12)7-6-10-8-9(2)13-17-10/h8,12H,3-7H2,1-2H3/t12-/m0/s1
InChIKeyPVTCLVDUHDNIOB-LBPRGKRZSA-N
XLogP1.51
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-6-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-2-one
CID 100928847
1-(2-bromoethyl)-5-ethoxypyrrolidin-2-one
CID 13048223
(4aS,8aR)-1-[2-(cyclohexen-1-yl)ethyl]-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56907754
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 133266460
(4aS,8aR)-1-[2-(methylamino)ethyl]-6-[(3-methyl-1,2-oxazol-5-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56914561
3-cyclopropyl-6-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
CID 64968254
methyl (E)-6-(2-ethoxy-5-oxopyrrolidin-1-yl)hex-2-enoate
CID 68652665
[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788285
(4aS,8aR)-1-[2-(methylamino)ethyl]-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56913841
6-methyl-2-[[1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927103
6-(difluoromethyl)-3-[[1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944059
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol
CID 115771137

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one (CID 100928844) is (5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one is CCO[C@H]1CCC(=O)N1CCc1cc(C)no1.
What is the InChIKey of (5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one?
The InChIKey is PVTCLVDUHDNIOB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-16-12-5-4-11(15)14(12)7-6-10-8-9(2)13-17-10/h8,12H,3-7H2,1-2H3/t12-/m0/s1.
What are the key properties of (5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one?
(5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one has a molecular weight of 238.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethoxy-1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 100928844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).