4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide

C19H25N3O2 — CID 119533664

IUPAC4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)NCCC1CCNC1
InChIInChI=1S/C19H25N3O2/c23-18(21-12-10-15-9-11-20-13-15)7-4-8-19-22-14-17(24-19)16-5-2-1-3-6-16/h1-3,5-6,14-15,20H,4,7-13H2,(H,21,23)
InChIKeyRNKMHCLMCFJWKF-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.78
Rot. Bonds8

About 4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide

4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide (PubChem CID 119533664) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide.

Molecular Properties

Compound Name4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
PubChem CID119533664
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)NCCC1CCNC1
InChIInChI=1S/C19H25N3O2/c23-18(21-12-10-15-9-11-20-13-15)7-4-8-19-22-14-17(24-19)16-5-2-1-3-6-16/h1-3,5-6,14-15,20H,4,7-13H2,(H,21,23)
InChIKeyRNKMHCLMCFJWKF-UHFFFAOYSA-N
XLogP2.78
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride
CID 119556270
4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride
CID 119460102
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
CID 119535420
4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119390880
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride
CID 119391777
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)propanamide
CID 119459738
N-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
CID 120601511
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18138486
1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 119470188
4-(4-oxo-3H-quinazolin-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 137119936

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide?
The IUPAC name of 4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide (CID 119533664) is 4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide.
What is the SMILES notation for 4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide?
The canonical SMILES for 4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide is O=C(CCCc1ncc(-c2ccccc2)o1)NCCC1CCNC1.
What is the InChIKey of 4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide?
The InChIKey is RNKMHCLMCFJWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18(21-12-10-15-9-11-20-13-15)7-4-8-19-22-14-17(24-19)16-5-2-1-3-6-16/h1-3,5-6,14-15,20H,4,7-13H2,(H,21,23).
What are the key properties of 4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide?
4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide has a molecular weight of 327.43 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide is sourced from PubChem (CID 119533664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).