N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide

C20H27N5O3 — CID 46883325

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)C3CCNCC3)cc2)no1
InChIInChI=1S/C20H27N5O3/c1-20(2,3)16-12-17(25-28-16)24-19(27)23-15-6-4-14(5-7-15)22-18(26)13-8-10-21-11-9-13/h4-7,12-13,21H,8-11H2,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyGEVFRUIWDNZICZ-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.55
Rot. Bonds4

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide (PubChem CID 46883325) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide
PubChem CID46883325
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)C3CCNCC3)cc2)no1
InChIInChI=1S/C20H27N5O3/c1-20(2,3)16-12-17(25-28-16)24-19(27)23-15-6-4-14(5-7-15)22-18(26)13-8-10-21-11-9-13/h4-7,12-13,21H,8-11H2,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyGEVFRUIWDNZICZ-UHFFFAOYSA-N
XLogP3.55
TPSA108.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-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 N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide (CID 46883325) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)C3CCNCC3)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide?
The InChIKey is GEVFRUIWDNZICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-20(2,3)16-12-17(25-28-16)24-19(27)23-15-6-4-14(5-7-15)22-18(26)13-8-10-21-11-9-13/h4-7,12-13,21H,8-11H2,1-3H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 46883325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).