4-[[2-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide

C24H24ClN5O4 — CID 11248659

IUPAC4-[[2-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCCN(C)C)c4)nc3c2)ccn1
InChIInChI=1S/C24H24ClN5O4/c1-26-23(31)20-14-17(8-9-27-20)33-16-5-7-21-19(13-16)29-24(34-21)28-15-4-6-18(25)22(12-15)32-11-10-30(2)3/h4-9,12-14H,10-11H2,1-3H3,(H,26,31)(H,28,29)
InChIKeyHYVFNIQDPPNFIH-UHFFFAOYSA-N
MW481.94 g/mol
LogP4.71
Rot. Bonds9

About 4-[[2-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[2-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 11248659) has the molecular formula C24H24ClN5O4 and a molecular weight of 481.94 g/mol. Its IUPAC name is 4-[[2-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID11248659
Molecular FormulaC24H24ClN5O4
Molecular Weight481.94 g/mol
Exact Mass481.15
IUPAC Name4-[[2-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCCN(C)C)c4)nc3c2)ccn1
InChIInChI=1S/C24H24ClN5O4/c1-26-23(31)20-14-17(8-9-27-20)33-16-5-7-21-19(13-16)29-24(34-21)28-15-4-6-18(25)22(12-15)32-11-10-30(2)3/h4-9,12-14H,10-11H2,1-3H3,(H,26,31)(H,28,29)
InChIKeyHYVFNIQDPPNFIH-UHFFFAOYSA-N
XLogP4.71
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-chloro-N-{4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}-5-(quinolin-4-yloxy)-1,3-benzoxazol-2-amine
CID 11156873
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
N-{4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}-5-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}-1,3-benzoxazol-2-amine
CID 11179315
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-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (CID 11248659) is 4-[[2-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCCN(C)C)c4)nc3c2)ccn1.
What is the InChIKey of 4-[[2-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is HYVFNIQDPPNFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O4/c1-26-23(31)20-14-17(8-9-27-20)33-16-5-7-21-19(13-16)29-24(34-21)28-15-4-6-18(25)22(12-15)32-11-10-30(2)3/h4-9,12-14H,10-11H2,1-3H3,(H,26,31)(H,28,29).
What are the key properties of 4-[[2-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 481.94 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 11248659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).