5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid

C16H19N3O5 — CID 126423001

IUPAC5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1noc(C)c1[C@H]1CCCN1C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C16H19N3O5/c1-9-14(10(2)24-18-9)12-4-3-7-19(12)16(22)17-8-11-5-6-13(23-11)15(20)21/h5-6,12H,3-4,7-8H2,1-2H3,(H,17,22)(H,20,21)/t12-/m1/s1
InChIKeyGOFIWTZKQAELLV-GFCCVEGCSA-N
MW333.34 g/mol
LogP2.63
Rot. Bonds4

About 5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid

5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 126423001) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid
PubChem CID126423001
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1noc(C)c1[C@H]1CCCN1C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C16H19N3O5/c1-9-14(10(2)24-18-9)12-4-3-7-19(12)16(22)17-8-11-5-6-13(23-11)15(20)21/h5-6,12H,3-4,7-8H2,1-2H3,(H,17,22)(H,20,21)/t12-/m1/s1
InChIKeyGOFIWTZKQAELLV-GFCCVEGCSA-N
XLogP2.63
TPSA108.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 50808693
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide
CID 95052097
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 119072941
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 126450301
methyl 5-[[[2-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]acetyl]amino]methyl]furan-2-carboxylate
CID 95140577
5-[[(2-ethylazepane-1-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 104690956
(2R)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894228
(2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894227
N-[(5-carbamoylfuran-2-yl)methyl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 139007297
(2S)-N-(2-bromophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894253
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-1-carboxamide
CID 92894271
(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894249

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid (CID 126423001) is 5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid is Cc1noc(C)c1[C@H]1CCCN1C(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is GOFIWTZKQAELLV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-9-14(10(2)24-18-9)12-4-3-7-19(12)16(22)17-8-11-5-6-13(23-11)15(20)21/h5-6,12H,3-4,7-8H2,1-2H3,(H,17,22)(H,20,21)/t12-/m1/s1.
What are the key properties of 5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid?
5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 126423001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).