4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide

C24H24N4O3 — CID 54584640

IUPAC4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3oc(Nc4cccc(C(C)(C)C)c4)nc3c2)ccn1
InChIInChI=1S/C24H24N4O3/c1-24(2,3)15-6-5-7-16(12-15)27-23-28-19-13-17(8-9-21(19)31-23)30-18-10-11-26-20(14-18)22(29)25-4/h5-14H,1-4H3,(H,25,29)(H,27,28)
InChIKeyRYHZIAYZFQPDIY-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.42
Rot. Bonds5

About 4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 54584640) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID54584640
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3oc(Nc4cccc(C(C)(C)C)c4)nc3c2)ccn1
InChIInChI=1S/C24H24N4O3/c1-24(2,3)15-6-5-7-16(12-15)27-23-28-19-13-17(8-9-21(19)31-23)30-18-10-11-26-20(14-18)22(29)25-4/h5-14H,1-4H3,(H,25,29)(H,27,28)
InChIKeyRYHZIAYZFQPDIY-UHFFFAOYSA-N
XLogP5.42
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[4-(4-ethylpiperazin-1-yl)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 22041042
4-[[2-(benzylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide;methanol
CID 143564411
4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 159824014
4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24821306
N-methyl-4-[4-[[3-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157417733
N-methyl-4-[4-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 131953278
4-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1,3-benzoxazol-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 24822064
4-[[2-(4-tert-butylanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 22040656
4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 57399505
4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide
CID 58665180
1-[[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzoxazol-2-yl]amino]methyl]cyclohexane-1-carboxylic acid;N-methyl-4-[[2-[[1-(methylcarbamoyl)cyclohexyl]methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
CID 159225657
N-methyl-4-[[2-(oxan-4-ylamino)-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
CID 24821671

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (CID 54584640) is 4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3oc(Nc4cccc(C(C)(C)C)c4)nc3c2)ccn1.
What is the InChIKey of 4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is RYHZIAYZFQPDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-24(2,3)15-6-5-7-16(12-15)27-23-28-19-13-17(8-9-21(19)31-23)30-18-10-11-26-20(14-18)22(29)25-4/h5-14H,1-4H3,(H,25,29)(H,27,28).
What are the key properties of 4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-tert-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 54584640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).