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

C17H19N3O4 — CID 125161093

IUPACN-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCOc1cccc(N2C[C@@H](NC(=O)Cc3cc(C)no3)CC2=O)c1
InChIInChI=1S/C17H19N3O4/c1-11-6-15(24-19-11)9-16(21)18-12-7-17(22)20(10-12)13-4-3-5-14(8-13)23-2/h3-6,8,12H,7,9-10H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyHBTQMZXUDRVIKV-LBPRGKRZSA-N
MW329.36 g/mol
LogP1.46
Rot. Bonds5

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

N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 125161093) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID125161093
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCOc1cccc(N2C[C@@H](NC(=O)Cc3cc(C)no3)CC2=O)c1
InChIInChI=1S/C17H19N3O4/c1-11-6-15(24-19-11)9-16(21)18-12-7-17(22)20(10-12)13-4-3-5-14(8-13)23-2/h3-6,8,12H,7,9-10H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyHBTQMZXUDRVIKV-LBPRGKRZSA-N
XLogP1.46
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-1,2-oxazol-5-yl)-N-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 91768696
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 43970913
2-(5-amino-3-methylpyrazol-1-yl)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 91794568
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7255137
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
2-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822193
ethyl 2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoacetate
CID 7548348
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822124
ethyl 4-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7544005
ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7544007
N-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
CID 134813179

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 125161093) is N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is COc1cccc(N2C[C@@H](NC(=O)Cc3cc(C)no3)CC2=O)c1.
What is the InChIKey of N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is HBTQMZXUDRVIKV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-6-15(24-19-11)9-16(21)18-12-7-17(22)20(10-12)13-4-3-5-14(8-13)23-2/h3-6,8,12H,7,9-10H2,1-2H3,(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 125161093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).