N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide

C27H31N7O2 — CID 53464845

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1-n1cc(-c2cncc(NC3CCCC3)c2)nn1
InChIInChI=1S/C27H31N7O2/c1-17-9-10-18(26(35)30-25-13-24(36-32-25)27(2,3)4)12-23(17)34-16-22(31-33-34)19-11-21(15-28-14-19)29-20-7-5-6-8-20/h9-16,20,29H,5-8H2,1-4H3,(H,30,32,35)
InChIKeyKRQURAMGEOQYRM-UHFFFAOYSA-N
MW485.59 g/mol
LogP5.53
Rot. Bonds6

About N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide (PubChem CID 53464845) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide
PubChem CID53464845
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1-n1cc(-c2cncc(NC3CCCC3)c2)nn1
InChIInChI=1S/C27H31N7O2/c1-17-9-10-18(26(35)30-25-13-24(36-32-25)27(2,3)4)12-23(17)34-16-22(31-33-34)19-11-21(15-28-14-19)29-20-7-5-6-8-20/h9-16,20,29H,5-8H2,1-4H3,(H,30,32,35)
InChIKeyKRQURAMGEOQYRM-UHFFFAOYSA-N
XLogP5.53
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide 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-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide (CID 53464845) is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1-n1cc(-c2cncc(NC3CCCC3)c2)nn1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide?
The InChIKey is KRQURAMGEOQYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-17-9-10-18(26(35)30-25-13-24(36-32-25)27(2,3)4)12-23(17)34-16-22(31-33-34)19-11-21(15-28-14-19)29-20-7-5-6-8-20/h9-16,20,29H,5-8H2,1-4H3,(H,30,32,35).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide has a molecular weight of 485.59 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(cyclopentylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide is sourced from PubChem (CID 53464845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).