4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide

C20H21N5O3 — CID 46883423

IUPAC4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)Nc3ccccn3)cc2)no1
InChIInChI=1S/C20H21N5O3/c1-20(2,3)15-12-17(25-28-15)24-19(27)22-14-9-7-13(8-10-14)18(26)23-16-6-4-5-11-21-16/h4-12H,1-3H3,(H,21,23,26)(H2,22,24,25,27)
InChIKeyPFDQUEBOFMXKRP-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.26
Rot. Bonds4

About 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide

4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide (PubChem CID 46883423) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide
PubChem CID46883423
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)Nc3ccccn3)cc2)no1
InChIInChI=1S/C20H21N5O3/c1-20(2,3)15-12-17(25-28-15)24-19(27)22-14-9-7-13(8-10-14)18(26)23-16-6-4-5-11-21-16/h4-12H,1-3H3,(H,21,23,26)(H2,22,24,25,27)
InChIKeyPFDQUEBOFMXKRP-UHFFFAOYSA-N
XLogP4.26
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide 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 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide (CID 46883423) is 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)Nc3ccccn3)cc2)no1.
What is the InChIKey of 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide?
The InChIKey is PFDQUEBOFMXKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-20(2,3)15-12-17(25-28-15)24-19(27)22-14-9-7-13(8-10-14)18(26)23-16-6-4-5-11-21-16/h4-12H,1-3H3,(H,21,23,26)(H2,22,24,25,27).
What are the key properties of 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide?
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide has a molecular weight of 379.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 46883423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).