N-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

C25H26N4O2S — CID 127046790

IUPACN-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1
InChIInChI=1S/C25H26N4O2S/c1-17-7-5-6-10-20(17)27-25(30)29-13-11-19(12-14-29)24-26-22(16-32-24)21-15-23(31-28-21)18-8-3-2-4-9-18/h2-10,16,19,23H,11-15H2,1H3,(H,27,30)
InChIKeyUXKNUJIKJVFQDM-UHFFFAOYSA-N
MW446.58 g/mol
LogP5.73
Rot. Bonds4

About N-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

N-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 127046790) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID127046790
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC NameN-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1
InChIInChI=1S/C25H26N4O2S/c1-17-7-5-6-10-20(17)27-25(30)29-13-11-19(12-14-29)24-26-22(16-32-24)21-15-23(31-28-21)18-8-3-2-4-9-18/h2-10,16,19,23H,11-15H2,1H3,(H,27,30)
InChIKeyUXKNUJIKJVFQDM-UHFFFAOYSA-N
XLogP5.73
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.58
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 127046790) is N-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is Cc1ccccc1NC(=O)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1.
What is the InChIKey of N-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is UXKNUJIKJVFQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-17-7-5-6-10-20(17)27-25(30)29-13-11-19(12-14-29)24-26-22(16-32-24)21-15-23(31-28-21)18-8-3-2-4-9-18/h2-10,16,19,23H,11-15H2,1H3,(H,27,30).
What are the key properties of N-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
N-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 127046790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).