N-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide

C28H31N5O4 — CID 54582720

IUPACN-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
SMILESCC(C)c1cccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCN5CCOCC5)c4)ccc3o2)c1
InChIInChI=1S/C28H31N5O4/c1-19(2)20-4-3-5-21(16-20)31-28-32-24-17-22(6-7-26(24)37-28)36-23-8-9-29-25(18-23)27(34)30-10-11-33-12-14-35-15-13-33/h3-9,16-19H,10-15H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyFZNVJIJNWWXKAZ-UHFFFAOYSA-N
MW501.59 g/mol
LogP4.94
Rot. Bonds9

About N-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide

N-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide (PubChem CID 54582720) has the molecular formula C28H31N5O4 and a molecular weight of 501.59 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
PubChem CID54582720
Molecular FormulaC28H31N5O4
Molecular Weight501.59 g/mol
Exact Mass501.24
IUPAC NameN-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
SMILESCC(C)c1cccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCN5CCOCC5)c4)ccc3o2)c1
InChIInChI=1S/C28H31N5O4/c1-19(2)20-4-3-5-21(16-20)31-28-32-24-17-22(6-7-26(24)37-28)36-23-8-9-29-25(18-23)27(34)30-10-11-33-12-14-35-15-13-33/h3-9,16-19H,10-15H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyFZNVJIJNWWXKAZ-UHFFFAOYSA-N
XLogP4.94
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.59
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide (CID 54582720) is N-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide is CC(C)c1cccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCN5CCOCC5)c4)ccc3o2)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
The InChIKey is FZNVJIJNWWXKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O4/c1-19(2)20-4-3-5-21(16-20)31-28-32-24-17-22(6-7-26(24)37-28)36-23-8-9-29-25(18-23)27(34)30-10-11-33-12-14-35-15-13-33/h3-9,16-19H,10-15H2,1-2H3,(H,30,34)(H,31,32).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
N-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide has a molecular weight of 501.59 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-[[2-(3-propan-2-ylanilino)-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 54582720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).