N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide

C14H21N3O3 — CID 97279930

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide
SMILESCCc1cc(CN(C)C(=O)CN2C(=O)CC[C@@H]2C)on1
InChIInChI=1S/C14H21N3O3/c1-4-11-7-12(20-15-11)8-16(3)14(19)9-17-10(2)5-6-13(17)18/h7,10H,4-6,8-9H2,1-3H3/t10-/m0/s1
InChIKeyRYDKSMOTHCNGRN-JTQLQIEISA-N
MW279.34 g/mol
LogP1.21
Rot. Bonds5

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide (PubChem CID 97279930) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide
PubChem CID97279930
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide
SMILESCCc1cc(CN(C)C(=O)CN2C(=O)CC[C@@H]2C)on1
InChIInChI=1S/C14H21N3O3/c1-4-11-7-12(20-15-11)8-16(3)14(19)9-17-10(2)5-6-13(17)18/h7,10H,4-6,8-9H2,1-3H3/t10-/m0/s1
InChIKeyRYDKSMOTHCNGRN-JTQLQIEISA-N
XLogP1.21
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide (CID 97279930) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide is CCc1cc(CN(C)C(=O)CN2C(=O)CC[C@@H]2C)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide?
The InChIKey is RYDKSMOTHCNGRN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-11-7-12(20-15-11)8-16(3)14(19)9-17-10(2)5-6-13(17)18/h7,10H,4-6,8-9H2,1-3H3/t10-/m0/s1.
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 97279930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).