4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide

C23H26N4O5 — CID 166108173

IUPAC4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide
SMILESCOc1cc(Nc2ncc(-c3ccc(C(N)=O)cc3)o2)cc(OCCN2CCOCC2)c1
InChIInChI=1S/C23H26N4O5/c1-29-19-12-18(13-20(14-19)31-11-8-27-6-9-30-10-7-27)26-23-25-15-21(32-23)16-2-4-17(5-3-16)22(24)28/h2-5,12-15H,6-11H2,1H3,(H2,24,28)(H,25,26)
InChIKeyFFSGSNDQCUHXQL-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.90
Rot. Bonds9

About 4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide

4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide (PubChem CID 166108173) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide
PubChem CID166108173
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide
SMILESCOc1cc(Nc2ncc(-c3ccc(C(N)=O)cc3)o2)cc(OCCN2CCOCC2)c1
InChIInChI=1S/C23H26N4O5/c1-29-19-12-18(13-20(14-19)31-11-8-27-6-9-30-10-7-27)26-23-25-15-21(32-23)16-2-4-17(5-3-16)22(24)28/h2-5,12-15H,6-11H2,1H3,(H2,24,28)(H,25,26)
InChIKeyFFSGSNDQCUHXQL-UHFFFAOYSA-N
XLogP2.90
TPSA112.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[3-methoxy-5-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid
CID 166108228
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid
CID 166108164
[3-methoxy-5-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 123642977
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine
CID 122444638
3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide
CID 166108154
[4-[2-(4-amino-3-methanimidoylanilino)-1,3-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 89344364
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate
CID 58307153
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 30737845

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide?
The IUPAC name of 4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide (CID 166108173) is 4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide is COc1cc(Nc2ncc(-c3ccc(C(N)=O)cc3)o2)cc(OCCN2CCOCC2)c1.
What is the InChIKey of 4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide?
The InChIKey is FFSGSNDQCUHXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-29-19-12-18(13-20(14-19)31-11-8-27-6-9-30-10-7-27)26-23-25-15-21(32-23)16-2-4-17(5-3-16)22(24)28/h2-5,12-15H,6-11H2,1H3,(H2,24,28)(H,25,26).
What are the key properties of 4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide?
4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide has a molecular weight of 438.48 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]benzamide is sourced from PubChem (CID 166108173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).