(2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide

C14H15N3O4 — CID 95738994

IUPAC(2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)no1
InChIInChI=1S/C14H15N3O4/c1-9-7-12(16-21-9)15-14(19)11-4-5-13(18)17(11)8-10-3-2-6-20-10/h2-3,6-7,11H,4-5,8H2,1H3,(H,15,16,19)/t11-/m0/s1
InChIKeyABXVHPRDADRPGV-NSHDSACASA-N
MW289.29 g/mol
LogP1.71
Rot. Bonds4

About (2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide

(2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 95738994) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID95738994
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)no1
InChIInChI=1S/C14H15N3O4/c1-9-7-12(16-21-9)15-14(19)11-4-5-13(18)17(11)8-10-3-2-6-20-10/h2-3,6-7,11H,4-5,8H2,1H3,(H,15,16,19)/t11-/m0/s1
InChIKeyABXVHPRDADRPGV-NSHDSACASA-N
XLogP1.71
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 7101882
(2R)-N-(cyclopentylmethyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738938
N-[2-(dimethylamino)-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 71688511
2-(furan-2-ylmethylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9466798
1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 71688509
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 95738982
(2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738945
N-(5-methyl-1,2-oxazol-3-yl)-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387889
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 95738978
(5R)-5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 124853639
(5R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100802705
3-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51223089

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide (CID 95738994) is (2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide is Cc1cc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)no1.
What is the InChIKey of (2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ABXVHPRDADRPGV-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9-7-12(16-21-9)15-14(19)11-4-5-13(18)17(11)8-10-3-2-6-20-10/h2-3,6-7,11H,4-5,8H2,1H3,(H,15,16,19)/t11-/m0/s1.
What are the key properties of (2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide?
(2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95738994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).