2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one

C20H24N2O3 — CID 134941538

IUPAC2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one
SMILESC[C@H](Cc1cccn1CCCc1ccccc1)C(=O)N1OCCC1=O
InChIInChI=1S/C20H24N2O3/c1-16(20(24)22-19(23)11-14-25-22)15-18-10-6-13-21(18)12-5-9-17-7-3-2-4-8-17/h2-4,6-8,10,13,16H,5,9,11-12,14-15H2,1H3/t16-/m1/s1
InChIKeyRRMLBEIALQKDKE-MRXNPFEDSA-N
MW340.42 g/mol
LogP2.99
Rot. Bonds7

About 2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one

2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one (PubChem CID 134941538) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one
PubChem CID134941538
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one
SMILESC[C@H](Cc1cccn1CCCc1ccccc1)C(=O)N1OCCC1=O
InChIInChI=1S/C20H24N2O3/c1-16(20(24)22-19(23)11-14-25-22)15-18-10-6-13-21(18)12-5-9-17-7-3-2-4-8-17/h2-4,6-8,10,13,16H,5,9,11-12,14-15H2,1H3/t16-/m1/s1
InChIKeyRRMLBEIALQKDKE-MRXNPFEDSA-N
XLogP2.99
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one (CID 134941538) is 2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one is C[C@H](Cc1cccn1CCCc1ccccc1)C(=O)N1OCCC1=O.
What is the InChIKey of 2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one?
The InChIKey is RRMLBEIALQKDKE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-16(20(24)22-19(23)11-14-25-22)15-18-10-6-13-21(18)12-5-9-17-7-3-2-4-8-17/h2-4,6-8,10,13,16H,5,9,11-12,14-15H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one?
2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one has a molecular weight of 340.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-3-[1-(3-phenylpropyl)pyrrol-2-yl]propanoyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 134941538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).