N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide

C16H19N3O2 — CID 3070614

IUPACN-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H19N3O2/c20-15(8-11-19-9-4-5-10-19)17-16-12-14(18-21-16)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,17,20)
InChIKeyDQPHFLVHTJFYAN-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.77
Rot. Bonds5

About N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide

N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 3070614) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide
PubChem CID3070614
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H19N3O2/c20-15(8-11-19-9-4-5-10-19)17-16-12-14(18-21-16)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,17,20)
InChIKeyDQPHFLVHTJFYAN-UHFFFAOYSA-N
XLogP2.77
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide (CID 3070614) is N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide is O=C(CCN1CCCC1)Nc1cc(-c2ccccc2)no1.
What is the InChIKey of N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is DQPHFLVHTJFYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(8-11-19-9-4-5-10-19)17-16-12-14(18-21-16)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,17,20).
What are the key properties of N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide?
N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 285.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1,2-oxazol-5-yl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 3070614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).