1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

C18H21N3O4 — CID 142597008

IUPAC1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1ncoc1-c1ccc(C(C)NC(=O)C2CC(O)CN2C=O)cc1
InChIInChI=1S/C18H21N3O4/c1-11(20-18(24)16-7-15(23)8-21(16)10-22)13-3-5-14(6-4-13)17-12(2)19-9-25-17/h3-6,9-11,15-16,23H,7-8H2,1-2H3,(H,20,24)
InChIKeyQGUXHYFFCWRDIE-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.42
Rot. Bonds5

About 1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 142597008) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID142597008
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1ncoc1-c1ccc(C(C)NC(=O)C2CC(O)CN2C=O)cc1
InChIInChI=1S/C18H21N3O4/c1-11(20-18(24)16-7-15(23)8-21(16)10-22)13-3-5-14(6-4-13)17-12(2)19-9-25-17/h3-6,9-11,15-16,23H,7-8H2,1-2H3,(H,20,24)
InChIKeyQGUXHYFFCWRDIE-UHFFFAOYSA-N
XLogP1.42
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylpropyl)formamide;(4R)-1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hexan-1-amine
CID 142464595
1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;formic acid
CID 175799858
(2S,4R)-1-(3,3-dimethyl-2-propan-2-ylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 167092559
1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 163393014
(2S)-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 175942468
(2S,4R)-1-[(2R)-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2R)-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-hydroxy-N-[(1S)-1-[4-(1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 167606332
(2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122423079
(2S,4R)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122423081
(2S,4S)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide
CID 162006900
(2S,4S)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 155188741
1-formyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenoxy]pyrrolidine-2-carboxamide
CID 142573115
1-[2-[(tert-butylamino)carbamoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146520211

Frequently Asked Questions

What is the IUPAC name of 1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 142597008) is 1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is Cc1ncoc1-c1ccc(C(C)NC(=O)C2CC(O)CN2C=O)cc1.
What is the InChIKey of 1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is QGUXHYFFCWRDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11(20-18(24)16-7-15(23)8-21(16)10-22)13-3-5-14(6-4-13)17-12(2)19-9-25-17/h3-6,9-11,15-16,23H,7-8H2,1-2H3,(H,20,24).
What are the key properties of 1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 142597008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).