4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide

C23H25N3O3 — CID 8007252

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-22(17(2)29-25-16)15-28-21-11-5-18(6-12-21)23(27)24-19-7-9-20(10-8-19)26-13-3-4-14-26/h5-12H,3-4,13-15H2,1-2H3,(H,24,27)
InChIKeyPRAIIQJZSGLPKN-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.72
Rot. Bonds6

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 8007252) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID8007252
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-22(17(2)29-25-16)15-28-21-11-5-18(6-12-21)23(27)24-19-7-9-20(10-8-19)26-13-3-4-14-26/h5-12H,3-4,13-15H2,1-2H3,(H,24,27)
InChIKeyPRAIIQJZSGLPKN-UHFFFAOYSA-N
XLogP4.72
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46468087
methyl 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzoate
CID 34754685
N-tert-butyl-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 46539748
N-[4-(4-chloropyrazol-1-yl)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 29097837
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783407
3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide
CID 55553416
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 44823993
N'-(cyclopropanecarbonyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 34259031
4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2269315
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 7999169
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 7494471
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-carboxamide
CID 46533155

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 8007252) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide is Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is PRAIIQJZSGLPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-22(17(2)29-25-16)15-28-21-11-5-18(6-12-21)23(27)24-19-7-9-20(10-8-19)26-13-3-4-14-26/h5-12H,3-4,13-15H2,1-2H3,(H,24,27).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 8007252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).