N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide

C28H28N4O5 — CID 71122857

IUPACN-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide
SMILESO=C(NCCO)c1ccc(Nc2nc3cccc(-c4ccc(CC(=O)N5CCOCC5)cc4)c3o2)cc1
InChIInChI=1S/C28H28N4O5/c33-15-12-29-27(35)21-8-10-22(11-9-21)30-28-31-24-3-1-2-23(26(24)37-28)20-6-4-19(5-7-20)18-25(34)32-13-16-36-17-14-32/h1-11,33H,12-18H2,(H,29,35)(H,30,31)
InChIKeyBXSWDRBLQIBPTA-UHFFFAOYSA-N
MW500.56 g/mol
LogP3.36
Rot. Bonds8

About N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide

N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide (PubChem CID 71122857) has the molecular formula C28H28N4O5 and a molecular weight of 500.56 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide
PubChem CID71122857
Molecular FormulaC28H28N4O5
Molecular Weight500.56 g/mol
Exact Mass500.21
IUPAC NameN-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide
SMILESO=C(NCCO)c1ccc(Nc2nc3cccc(-c4ccc(CC(=O)N5CCOCC5)cc4)c3o2)cc1
InChIInChI=1S/C28H28N4O5/c33-15-12-29-27(35)21-8-10-22(11-9-21)30-28-31-24-3-1-2-23(26(24)37-28)20-6-4-19(5-7-20)18-25(34)32-13-16-36-17-14-32/h1-11,33H,12-18H2,(H,29,35)(H,30,31)
InChIKeyBXSWDRBLQIBPTA-UHFFFAOYSA-N
XLogP3.36
TPSA116.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide with MolForge

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Related Compounds

2-[4-[2-(4-methylsulfonylanilino)-1,3-benzoxazol-7-yl]phenyl]-1-morpholin-4-ylethanone
CID 67458919
N,N-dimethyl-4-[[7-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide
CID 46880739
N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929450
4-[[7-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-1,3-benzoxazol-2-yl]amino]-N,2-dimethylbenzamide
CID 46865430
[2-methyl-4-[[7-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]-1,3-benzoxazol-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 59144311
[4-[2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-1,3-benzoxazol-7-yl]-2-methylphenyl]-morpholin-4-ylmethanone
CID 59144269
1-morpholin-4-yl-2-[4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]ethanone
CID 59392811
[4-[2-[4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylanilino]-1,3-benzoxazol-7-yl]-2-methylphenyl]-morpholin-4-ylmethanone
CID 59144237
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 119712469
2-[4-[2-[4-(4-cyclopropylpiperazin-1-yl)-3-methylanilino]-1,3-benzoxazol-7-yl]phenyl]-2-methyl-1-morpholin-4-ylpropan-1-one
CID 59144219
2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]-1-morpholin-4-ylethanone
CID 167959813
N-hydroxy-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 87916102

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide (CID 71122857) is N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide is O=C(NCCO)c1ccc(Nc2nc3cccc(-c4ccc(CC(=O)N5CCOCC5)cc4)c3o2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide?
The InChIKey is BXSWDRBLQIBPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O5/c33-15-12-29-27(35)21-8-10-22(11-9-21)30-28-31-24-3-1-2-23(26(24)37-28)20-6-4-19(5-7-20)18-25(34)32-13-16-36-17-14-32/h1-11,33H,12-18H2,(H,29,35)(H,30,31).
What are the key properties of N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide?
N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide has a molecular weight of 500.56 g/mol, XLogP of 3.36, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[[7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-benzoxazol-2-yl]amino]benzamide is sourced from PubChem (CID 71122857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).