5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C26H30FN5O4 — CID 156560912

IUPAC5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESC=CC(=O)N(C)CCOc1cnccc1-c1ccc(CNC(=O)c2noc(C(C)(C)C)n2)c(C)c1F
InChIInChI=1S/C26H30FN5O4/c1-7-21(33)32(6)12-13-35-20-15-28-11-10-18(20)19-9-8-17(16(2)22(19)27)14-29-24(34)23-30-25(36-31-23)26(3,4)5/h7-11,15H,1,12-14H2,2-6H3,(H,29,34)
InChIKeyOXXCWYSUTHXDJL-UHFFFAOYSA-N
MW495.56 g/mol
LogP3.83
Rot. Bonds9

About 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 156560912) has the molecular formula C26H30FN5O4 and a molecular weight of 495.56 g/mol. Its IUPAC name is 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID156560912
Molecular FormulaC26H30FN5O4
Molecular Weight495.56 g/mol
Exact Mass495.23
IUPAC Name5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESC=CC(=O)N(C)CCOc1cnccc1-c1ccc(CNC(=O)c2noc(C(C)(C)C)n2)c(C)c1F
InChIInChI=1S/C26H30FN5O4/c1-7-21(33)32(6)12-13-35-20-15-28-11-10-18(20)19-9-8-17(16(2)22(19)27)14-29-24(34)23-30-25(36-31-23)26(3,4)5/h7-11,15H,1,12-14H2,2-6H3,(H,29,34)
InChIKeyOXXCWYSUTHXDJL-UHFFFAOYSA-N
XLogP3.83
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-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 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 156560912) is 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is C=CC(=O)N(C)CCOc1cnccc1-c1ccc(CNC(=O)c2noc(C(C)(C)C)n2)c(C)c1F.
What is the InChIKey of 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is OXXCWYSUTHXDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O4/c1-7-21(33)32(6)12-13-35-20-15-28-11-10-18(20)19-9-8-17(16(2)22(19)27)14-29-24(34)23-30-25(36-31-23)26(3,4)5/h7-11,15H,1,12-14H2,2-6H3,(H,29,34).
What are the key properties of 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[3-fluoro-2-methyl-4-[3-[2-[methyl(prop-2-enoyl)amino]ethoxy]-4-pyridinyl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 156560912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).