N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

C18H23N3O2 — CID 3771092

IUPACN-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCCCc1ccccc1)c1coc(C2CCCN2)n1
InChIInChI=1S/C18H23N3O2/c22-17(16-13-23-18(21-16)15-10-6-12-19-15)20-11-5-4-9-14-7-2-1-3-8-14/h1-3,7-8,13,15,19H,4-6,9-12H2,(H,20,22)
InChIKeyVEBRUAGIEBAXFZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.85
Rot. Bonds7

About N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 3771092) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
PubChem CID3771092
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCCCc1ccccc1)c1coc(C2CCCN2)n1
InChIInChI=1S/C18H23N3O2/c22-17(16-13-23-18(21-16)15-10-6-12-19-15)20-11-5-4-9-14-7-2-1-3-8-14/h1-3,7-8,13,15,19H,4-6,9-12H2,(H,20,22)
InChIKeyVEBRUAGIEBAXFZ-UHFFFAOYSA-N
XLogP2.85
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 4994793
N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3433625
N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3665787
N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3439628
methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 3704822
2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 4596847
N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide
CID 110257602
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3674031
N-(2-pyridin-4-ylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742148
4-benzyl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
CID 90058028
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183
2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 110852301

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (CID 3771092) is N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is O=C(NCCCCc1ccccc1)c1coc(C2CCCN2)n1.
What is the InChIKey of N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is VEBRUAGIEBAXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17(16-13-23-18(21-16)15-10-6-12-19-15)20-11-5-4-9-14-7-2-1-3-8-14/h1-3,7-8,13,15,19H,4-6,9-12H2,(H,20,22).
What are the key properties of N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3771092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).