2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide

C23H22N4O3 — CID 69287712

IUPAC2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2c(C(N)=O)cccc2o1
InChIInChI=1S/C23H22N4O3/c1-23(2,3)15-9-4-5-11-17(15)29-21-16(10-7-13-25-21)26-22-27-19-14(20(24)28)8-6-12-18(19)30-22/h4-13H,1-3H3,(H2,24,28)(H,26,27)
InChIKeyJYPPNRMHEWSUKS-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.16
Rot. Bonds5

About 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide

2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide (PubChem CID 69287712) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide
PubChem CID69287712
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2c(C(N)=O)cccc2o1
InChIInChI=1S/C23H22N4O3/c1-23(2,3)15-9-4-5-11-17(15)29-21-16(10-7-13-25-21)26-22-27-19-14(20(24)28)8-6-12-18(19)30-22/h4-13H,1-3H3,(H2,24,28)(H,26,27)
InChIKeyJYPPNRMHEWSUKS-UHFFFAOYSA-N
XLogP5.16
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzothiazole-4-carboxylic acid
CID 172794727
2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide
CID 69289316
N-benzyl-2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide
CID 69291683
1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68528210
4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine
CID 170985858
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 59128807
N-[[2-(2-tert-butylphenoxy)-3-pyridinyl]carbamothioyl]benzamide
CID 59128801
3-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]-3-methylbutanoic acid
CID 59129074
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine
CID 59128778
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 68646027
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide
CID 67026821
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine
CID 86250340

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide?
The IUPAC name of 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide (CID 69287712) is 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide.
What is the SMILES notation for 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide?
The canonical SMILES for 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide is CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2c(C(N)=O)cccc2o1.
What is the InChIKey of 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide?
The InChIKey is JYPPNRMHEWSUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-23(2,3)15-9-4-5-11-17(15)29-21-16(10-7-13-25-21)26-22-27-19-14(20(24)28)8-6-12-18(19)30-22/h4-13H,1-3H3,(H2,24,28)(H,26,27).
What are the key properties of 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide?
2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-benzoxazole-4-carboxamide is sourced from PubChem (CID 69287712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).