(3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

C18H23N3O2 — CID 164638987

IUPAC(3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCc1ncc(CNC(=O)[C@H]2CCN(Cc3ccccc3)C2)o1
InChIInChI=1S/C18H23N3O2/c1-2-17-19-10-16(23-17)11-20-18(22)15-8-9-21(13-15)12-14-6-4-3-5-7-14/h3-7,10,15H,2,8-9,11-13H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyWEWVTNIFLQFREP-HNNXBMFYSA-N
MW313.40 g/mol
LogP2.38
Rot. Bonds6

About (3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

(3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 164638987) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID164638987
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCc1ncc(CNC(=O)[C@H]2CCN(Cc3ccccc3)C2)o1
InChIInChI=1S/C18H23N3O2/c1-2-17-19-10-16(23-17)11-20-18(22)15-8-9-21(13-15)12-14-6-4-3-5-7-14/h3-7,10,15H,2,8-9,11-13H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyWEWVTNIFLQFREP-HNNXBMFYSA-N
XLogP2.38
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (CID 164638987) is (3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is CCc1ncc(CNC(=O)[C@H]2CCN(Cc3ccccc3)C2)o1.
What is the InChIKey of (3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is WEWVTNIFLQFREP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-17-19-10-16(23-17)11-20-18(22)15-8-9-21(13-15)12-14-6-4-3-5-7-14/h3-7,10,15H,2,8-9,11-13H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
(3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 164638987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).