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

C16H17N3O4 — CID 142573115

IUPAC1-formyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenoxy]pyrrolidine-2-carboxamide
SMILESCc1ncoc1-c1ccc(ONC(=O)C2CCCN2C=O)cc1
InChIInChI=1S/C16H17N3O4/c1-11-15(22-9-17-11)12-4-6-13(7-5-12)23-18-16(21)14-3-2-8-19(14)10-20/h4-7,9-10,14H,2-3,8H2,1H3,(H,18,21)
InChIKeyJRSMAJQSRGTPGI-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.68
Rot. Bonds5

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

1-formyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenoxy]pyrrolidine-2-carboxamide (PubChem CID 142573115) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-formyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenoxy]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-formyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenoxy]pyrrolidine-2-carboxamide
PubChem CID142573115
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name1-formyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenoxy]pyrrolidine-2-carboxamide
SMILESCc1ncoc1-c1ccc(ONC(=O)C2CCCN2C=O)cc1
InChIInChI=1S/C16H17N3O4/c1-11-15(22-9-17-11)12-4-6-13(7-5-12)23-18-16(21)14-3-2-8-19(14)10-20/h4-7,9-10,14H,2-3,8H2,1H3,(H,18,21)
InChIKeyJRSMAJQSRGTPGI-UHFFFAOYSA-N
XLogP1.68
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-methyl-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146358192
1-formyl-4-hydroxy-N-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 142597008
1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 163393014
2-amino-3,3-dicyclopropyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]propanamide
CID 167148891
2,2-dimethylpropan-1-amine;1-formyl-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 142464569
ethyl 1-formylpyrrolidine-2-carboxylate
CID 18469486
(2R)-1-formylpyrrolidine-2-carboxamide
CID 144804081
1-formyl-N-[2-hydroxy-1-[4-(4-methyl-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170954715
(2S)-1-formyl-N-[2-(2-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 89190532
N-[1-[4-(3-fluoro-2-pyridinyl)phenyl]-2-hydroxyethyl]-1-formylpyrrolidine-2-carboxamide;3-methylbutan-2-amine
CID 170955994
methyl (2R)-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79833950
[(2S)-2-[[(2S)-1-formylpiperidine-2-carbonyl]amino]-2-phenylethyl] acetate
CID 71545477

Frequently Asked Questions

What is the IUPAC name of 1-formyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenoxy]pyrrolidine-2-carboxamide?
The IUPAC name of 1-formyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenoxy]pyrrolidine-2-carboxamide (CID 142573115) is 1-formyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenoxy]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-formyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenoxy]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-formyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenoxy]pyrrolidine-2-carboxamide is Cc1ncoc1-c1ccc(ONC(=O)C2CCCN2C=O)cc1.
What is the InChIKey of 1-formyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenoxy]pyrrolidine-2-carboxamide?
The InChIKey is JRSMAJQSRGTPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-11-15(22-9-17-11)12-4-6-13(7-5-12)23-18-16(21)14-3-2-8-19(14)10-20/h4-7,9-10,14H,2-3,8H2,1H3,(H,18,21).
What are the key properties of 1-formyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenoxy]pyrrolidine-2-carboxamide?
1-formyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenoxy]pyrrolidine-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenoxy]pyrrolidine-2-carboxamide is sourced from PubChem (CID 142573115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).