N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide

C26H31N7O2 — CID 53464783

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1-n1cc(-c2cncc(N(C)C(C)C)c2)nn1
InChIInChI=1S/C26H31N7O2/c1-16(2)32(7)20-10-19(13-27-14-20)21-15-33(31-29-21)22-11-18(9-8-17(22)3)25(34)28-24-12-23(35-30-24)26(4,5)6/h8-16H,1-7H3,(H,28,30,34)
InChIKeyWZEICYCQAMYIMF-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.02
Rot. Bonds6

About N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide (PubChem CID 53464783) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide
PubChem CID53464783
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1-n1cc(-c2cncc(N(C)C(C)C)c2)nn1
InChIInChI=1S/C26H31N7O2/c1-16(2)32(7)20-10-19(13-27-14-20)21-15-33(31-29-21)22-11-18(9-8-17(22)3)25(34)28-24-12-23(35-30-24)26(4,5)6/h8-16H,1-7H3,(H,28,30,34)
InChIKeyWZEICYCQAMYIMF-UHFFFAOYSA-N
XLogP5.02
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 10002975
N-Ethyl-4-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenylamino)-5-methylpyrrolo[1,2-f][1,2,4]triazine-6-carboxamide
CID 10319912
3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 10389147
5-amino-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1-(pyridin-2-yl)-1H-pyrazole-4-carboxamide
CID 52943788
5-(ethylamino)-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)-1-(pyridin-2-yl)-1H-pyrazole-4-carboxamide
CID 52944121
US8653087, III-364
CID 68036125
US8653087, III-365
CID 68036135
US8653087, III-474
CID 68036274
US8653087, III-481
CID 68036281
US8653087, III-592
CID 68036423
US8653087, III-598
CID 68036428
US8653087, III-603
CID 68036433

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide (CID 53464783) is N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide is Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1-n1cc(-c2cncc(N(C)C(C)C)c2)nn1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide?
The InChIKey is WZEICYCQAMYIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-16(2)32(7)20-10-19(13-27-14-20)21-15-33(31-29-21)22-11-18(9-8-17(22)3)25(34)28-24-12-23(35-30-24)26(4,5)6/h8-16H,1-7H3,(H,28,30,34).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide has a molecular weight of 473.58 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 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)-4-methyl-3-[4-[5-[methyl(propan-2-yl)amino]-3-pyridinyl]triazol-1-yl]benzamide is sourced from PubChem (CID 53464783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).