5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide

C26H29N7O3 — CID 53464286

IUPAC5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1-n1cc(-c2cncc(N3CCOCC3)c2)nn1
InChIInChI=1S/C26H29N7O3/c1-17-5-6-19(28-25(34)21-13-24(36-30-21)26(2,3)4)12-23(17)33-16-22(29-31-33)18-11-20(15-27-14-18)32-7-9-35-10-8-32/h5-6,11-16H,7-10H2,1-4H3,(H,28,34)
InChIKeyOGHREGIWGUAILA-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.01
Rot. Bonds5

About 5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide

5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 53464286) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID53464286
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1-n1cc(-c2cncc(N3CCOCC3)c2)nn1
InChIInChI=1S/C26H29N7O3/c1-17-5-6-19(28-25(34)21-13-24(36-30-21)26(2,3)4)12-23(17)33-16-22(29-31-33)18-11-20(15-27-14-18)32-7-9-35-10-8-32/h5-6,11-16H,7-10H2,1-4H3,(H,28,34)
InChIKeyOGHREGIWGUAILA-UHFFFAOYSA-N
XLogP4.01
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide (CID 53464286) is 5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(C(C)(C)C)on2)cc1-n1cc(-c2cncc(N3CCOCC3)c2)nn1.
What is the InChIKey of 5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OGHREGIWGUAILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-17-5-6-19(28-25(34)21-13-24(36-30-21)26(2,3)4)12-23(17)33-16-22(29-31-33)18-11-20(15-27-14-18)32-7-9-35-10-8-32/h5-6,11-16H,7-10H2,1-4H3,(H,28,34).
What are the key properties of 5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide?
5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53464286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).