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

C18H21N3O3 — CID 163393014

IUPAC1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1nocc1-c1ccc(C(C)NC(=O)C2CCCN2C=O)cc1
InChIInChI=1S/C18H21N3O3/c1-12(19-18(23)17-4-3-9-21(17)11-22)14-5-7-15(8-6-14)16-10-24-20-13(16)2/h5-8,10-12,17H,3-4,9H2,1-2H3,(H,19,23)
InChIKeyCKIHDTNVRZRSKF-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.45
Rot. Bonds5

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

1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 163393014) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID163393014
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCc1nocc1-c1ccc(C(C)NC(=O)C2CCCN2C=O)cc1
InChIInChI=1S/C18H21N3O3/c1-12(19-18(23)17-4-3-9-21(17)11-22)14-5-7-15(8-6-14)16-10-24-20-13(16)2/h5-8,10-12,17H,3-4,9H2,1-2H3,(H,19,23)
InChIKeyCKIHDTNVRZRSKF-UHFFFAOYSA-N
XLogP2.45
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 163393014) is 1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is Cc1nocc1-c1ccc(C(C)NC(=O)C2CCCN2C=O)cc1.
What is the InChIKey of 1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is CKIHDTNVRZRSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(19-18(23)17-4-3-9-21(17)11-22)14-5-7-15(8-6-14)16-10-24-20-13(16)2/h5-8,10-12,17H,3-4,9H2,1-2H3,(H,19,23).
What are the key properties of 1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?
1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-N-[1-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 163393014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).