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

C26H26ClN5O4 — CID 11341153

IUPAC4-[[2-[4-chloro-3-(piperidin-4-ylmethoxy)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCC5CCNCC5)c4)nc3c2)ccn1
InChIInChI=1S/C26H26ClN5O4/c1-28-25(33)22-14-19(8-11-30-22)35-18-3-5-23-21(13-18)32-26(36-23)31-17-2-4-20(27)24(12-17)34-15-16-6-9-29-10-7-16/h2-5,8,11-14,16,29H,6-7,9-10,15H2,1H3,(H,28,33)(H,31,32)
InChIKeyBTZADJMCMGCPTD-UHFFFAOYSA-N
MW507.98 g/mol
LogP5.15
Rot. Bonds8

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

4-[[2-[4-chloro-3-(piperidin-4-ylmethoxy)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 11341153) has the molecular formula C26H26ClN5O4 and a molecular weight of 507.98 g/mol. Its IUPAC name is 4-[[2-[4-chloro-3-(piperidin-4-ylmethoxy)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-[4-chloro-3-(piperidin-4-ylmethoxy)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID11341153
Molecular FormulaC26H26ClN5O4
Molecular Weight507.98 g/mol
Exact Mass507.17
IUPAC Name4-[[2-[4-chloro-3-(piperidin-4-ylmethoxy)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCC5CCNCC5)c4)nc3c2)ccn1
InChIInChI=1S/C26H26ClN5O4/c1-28-25(33)22-14-19(8-11-30-22)35-18-3-5-23-21(13-18)32-26(36-23)31-17-2-4-20(27)24(12-17)34-15-16-6-9-29-10-7-16/h2-5,8,11-14,16,29H,6-7,9-10,15H2,1H3,(H,28,33)(H,31,32)
InChIKeyBTZADJMCMGCPTD-UHFFFAOYSA-N
XLogP5.15
TPSA110.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.98
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[2-[4-chloro-3-(piperidin-4-ylmethoxy)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-chloro-3-(piperidin-4-ylmethoxy)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-[4-chloro-3-(piperidin-4-ylmethoxy)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (CID 11341153) is 4-[[2-[4-chloro-3-(piperidin-4-ylmethoxy)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-[4-chloro-3-(piperidin-4-ylmethoxy)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-[4-chloro-3-(piperidin-4-ylmethoxy)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCC5CCNCC5)c4)nc3c2)ccn1.
What is the InChIKey of 4-[[2-[4-chloro-3-(piperidin-4-ylmethoxy)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is BTZADJMCMGCPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O4/c1-28-25(33)22-14-19(8-11-30-22)35-18-3-5-23-21(13-18)32-26(36-23)31-17-2-4-20(27)24(12-17)34-15-16-6-9-29-10-7-16/h2-5,8,11-14,16,29H,6-7,9-10,15H2,1H3,(H,28,33)(H,31,32).
What are the key properties of 4-[[2-[4-chloro-3-(piperidin-4-ylmethoxy)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-[4-chloro-3-(piperidin-4-ylmethoxy)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 507.98 g/mol, XLogP of 5.15, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-chloro-3-(piperidin-4-ylmethoxy)anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 11341153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).