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

C24H24N4O3 — CID 22040966

IUPAC4-[[2-(4-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCCCCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1
InChIInChI=1S/C24H24N4O3/c1-3-4-5-16-6-8-17(9-7-16)27-24-28-20-14-18(10-11-22(20)31-24)30-19-12-13-26-21(15-19)23(29)25-2/h6-15H,3-5H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyGXPOEXFHJJEOLO-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.46
Rot. Bonds8

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

4-[[2-(4-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 22040966) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-[[2-(4-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID22040966
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name4-[[2-(4-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCCCCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1
InChIInChI=1S/C24H24N4O3/c1-3-4-5-16-6-8-17(9-7-16)27-24-28-20-14-18(10-11-22(20)31-24)30-19-12-13-26-21(15-19)23(29)25-2/h6-15H,3-5H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyGXPOEXFHJJEOLO-UHFFFAOYSA-N
XLogP5.46
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ontazolast
CID 71458
4-{[7-chloro-2-({4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)-1,3-benzoxazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11156969
4-{[2-({4-chloro-3-[2-(dimethylamino)ethoxy]phenyl}amino)-1,3-benzoxazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11248659
4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-7-fluoro-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 11283899
4-[(2-{[4-chloro-3-(piperidin-4-ylmethoxy)phenyl]amino}-1,3-benzoxazol-5-yl)oxy]-N-methylpyridine-2-carboxamide
CID 11341153
4-{[2-({4-chloro-3-[2-(diethylamino)ethoxy]phenyl}amino)-1,3-benzoxazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11352732
4-{2-[4-chloro-3-((2S)-1-methyl-pyrrolidin-2-ylmethoxy)-phenylamino]-benzooxazol-5-yloxy}-pyridine-2-carboxylic acid amide
CID 11454711
4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 11620410
4-{[2-({4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)-1,3-benzoxazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11752517
4-({2-[(4-Chlorophenyl)amino]-1,3-benzoxazol-5-yl}oxy)-n-methylpyridine-2-carboxamide
CID 17755310
4-[(2-{[4-chloro-3-(morpholin-4-ylmethyl)phenyl]amino}-1,3-benzoxazol-5-yl)oxy]-N-methylpyridine-2-carboxamide
CID 17755311
N-{4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}-5-(quinolin-4-yloxy)-1,3-benzoxazol-2-amine
CID 17755314

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(4-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (CID 22040966) is 4-[[2-(4-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(4-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(4-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is CCCCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3o2)cc1.
What is the InChIKey of 4-[[2-(4-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is GXPOEXFHJJEOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-3-4-5-16-6-8-17(9-7-16)27-24-28-20-14-18(10-11-22(20)31-24)30-19-12-13-26-21(15-19)23(29)25-2/h6-15H,3-5H2,1-2H3,(H,25,29)(H,27,28).
What are the key properties of 4-[[2-(4-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-(4-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-butylanilino)-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 22040966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).