N-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide

C16H19N3O2 — CID 122402400

IUPACN-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1ncoc1[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11(12-6-3-2-4-7-12)19-16(20)14-15(21-10-18-14)13-8-5-9-17-13/h2-4,6-7,10-11,13,17H,5,8-9H2,1H3,(H,19,20)/t11-,13+/m1/s1
InChIKeyPBOAILVVENQQOT-YPMHNXCESA-N
MW285.35 g/mol
LogP2.59
Rot. Bonds4

About N-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide

N-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 122402400) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID122402400
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1ncoc1[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11(12-6-3-2-4-7-12)19-16(20)14-15(21-10-18-14)13-8-5-9-17-13/h2-4,6-7,10-11,13,17H,5,8-9H2,1H3,(H,19,20)/t11-,13+/m1/s1
InChIKeyPBOAILVVENQQOT-YPMHNXCESA-N
XLogP2.59
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide (CID 122402400) is N-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide is C[C@@H](NC(=O)c1ncoc1[C@@H]1CCCN1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is PBOAILVVENQQOT-YPMHNXCESA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(12-6-3-2-4-7-12)19-16(20)14-15(21-10-18-14)13-8-5-9-17-13/h2-4,6-7,10-11,13,17H,5,8-9H2,1H3,(H,19,20)/t11-,13+/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
N-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-5-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 122402400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).