3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C14H19N3O4 — CID 72846130

IUPAC3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc([C@H]2CN(C(=O)CN3CCOC3=O)C[C@@H]2N)o1
InChIInChI=1S/C14H19N3O4/c1-9-2-3-12(21-9)10-6-17(7-11(10)15)13(18)8-16-4-5-20-14(16)19/h2-3,10-11H,4-8,15H2,1H3/t10-,11-/m0/s1
InChIKeyXSVWLQIHOSXDME-QWRGUYRKSA-N
MW293.32 g/mol
LogP0.29
Rot. Bonds3

About 3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 72846130) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID72846130
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc([C@H]2CN(C(=O)CN3CCOC3=O)C[C@@H]2N)o1
InChIInChI=1S/C14H19N3O4/c1-9-2-3-12(21-9)10-6-17(7-11(10)15)13(18)8-16-4-5-20-14(16)19/h2-3,10-11H,4-8,15H2,1H3/t10-,11-/m0/s1
InChIKeyXSVWLQIHOSXDME-QWRGUYRKSA-N
XLogP0.29
TPSA89.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(Furan-2-yl)-2-oxopyrrolidin-1-yl]butanamide
CID 9921054
N-[(3S*,4R*)-1-(2-furylmethyl)-4-(5-methyl-2-furyl)-3-pyrrolidinyl]acetamide
CID 70708926
(3S*,4R*)-3-(acetylamino)-N-ethyl-4-(5-methyl-2-furyl)-1-pyrrolidinecarboxamide
CID 70778148
1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone
CID 72842256
3-methoxy-N-[rel-(3R,4S)-1-[(2E)-2-methyl-2-buten-1-yl]-4-(5-methyl-2-furyl)-3-pyrrolidinyl]propanamide hydrochloride
CID 72858248
N-[(3R*,4S*)-1-(2-hydroxyethyl)-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-2-(2-oxo-1-piperidinyl)acetamide
CID 72863207
[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 72864774
N-[(3R*,4S*)-1-acetyl-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-4-morpholinesulfonamide
CID 72881633
N-[(3R*,4S*)-1-acetyl-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-1-pyrrolidinesulfonamide
CID 72908341
N-[rel-(3R,4S)-1-isopropyl-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-4-morpholinesulfonamide hydrochloride
CID 72929865
N-[rel-(3R,4S)-1-[(2E)-2-methyl-2-buten-1-yl]-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-2-(2-oxo-1-pyrrolidinyl)acetamide hydrochloride
CID 72932853
1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 72937422

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 72846130) is 3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is Cc1ccc([C@H]2CN(C(=O)CN3CCOC3=O)C[C@@H]2N)o1.
What is the InChIKey of 3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is XSVWLQIHOSXDME-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-2-3-12(21-9)10-6-17(7-11(10)15)13(18)8-16-4-5-20-14(16)19/h2-3,10-11H,4-8,15H2,1H3/t10-,11-/m0/s1.
What are the key properties of 3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 293.32 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72846130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).