(4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

C18H21N3O4 — CID 94136051

IUPAC(4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)on1
InChIInChI=1S/C18H21N3O4/c1-12-8-16(25-19-12)15-5-2-6-21(15)18(23)13-9-17(22)20(10-13)11-14-4-3-7-24-14/h3-4,7-8,13,15H,2,5-6,9-11H2,1H3/t13-,15+/m0/s1
InChIKeyPBGXXYWRJZMJCI-DZGCQCFKSA-N
MW343.38 g/mol
LogP2.29
Rot. Bonds4

About (4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 94136051) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID94136051
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)on1
InChIInChI=1S/C18H21N3O4/c1-12-8-16(25-19-12)15-5-2-6-21(15)18(23)13-9-17(22)20(10-13)11-14-4-3-7-24-14/h3-4,7-8,13,15H,2,5-6,9-11H2,1H3/t13-,15+/m0/s1
InChIKeyPBGXXYWRJZMJCI-DZGCQCFKSA-N
XLogP2.29
TPSA79.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95312335
1-(2-methoxyethyl)-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 56798394
(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 99998905
4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 51207395
4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 55329253
4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 51270023
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 124701269
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
(4S)-4-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100909787
(4S)-4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100892241
4-(2,4-dimethylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 71877105

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 94136051) is (4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is Cc1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)on1.
What is the InChIKey of (4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is PBGXXYWRJZMJCI-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-8-16(25-19-12)15-5-2-6-21(15)18(23)13-9-17(22)20(10-13)11-14-4-3-7-24-14/h3-4,7-8,13,15H,2,5-6,9-11H2,1H3/t13-,15+/m0/s1.
What are the key properties of (4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 343.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 94136051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).