N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide

C18H20N4O4 — CID 3857154

IUPACN-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
SMILESCc1cc(C(=O)N2CCCN2C(=O)CNC(=O)Cc2ccccc2)no1
InChIInChI=1S/C18H20N4O4/c1-13-10-15(20-26-13)18(25)22-9-5-8-21(22)17(24)12-19-16(23)11-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11-12H2,1H3,(H,19,23)
InChIKeyQXGTYDVRBHUBHN-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.93
Rot. Bonds5

About N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide

N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide (PubChem CID 3857154) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
PubChem CID3857154
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
SMILESCc1cc(C(=O)N2CCCN2C(=O)CNC(=O)Cc2ccccc2)no1
InChIInChI=1S/C18H20N4O4/c1-13-10-15(20-26-13)18(25)22-9-5-8-21(22)17(24)12-19-16(23)11-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11-12H2,1H3,(H,19,23)
InChIKeyQXGTYDVRBHUBHN-UHFFFAOYSA-N
XLogP0.93
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3363983
1-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110645725
furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone
CID 3822140
ethyl 3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-3-oxopropanoate
CID 3862494
1-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]butan-1-one
CID 3866618
N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4991946
[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate
CID 3758692
2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide
CID 3742644
[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 3716230
cyclopropyl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone
CID 4990126
[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 110645702
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 83286879

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide (CID 3857154) is N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide is Cc1cc(C(=O)N2CCCN2C(=O)CNC(=O)Cc2ccccc2)no1.
What is the InChIKey of N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is QXGTYDVRBHUBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-13-10-15(20-26-13)18(25)22-9-5-8-21(22)17(24)12-19-16(23)11-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11-12H2,1H3,(H,19,23).
What are the key properties of N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide?
N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 356.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 3857154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).