N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide

C17H17ClN4O4 — CID 4669841

IUPACN-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCCN2C(=O)c2cc(C)on2)c1Cl
InChIInChI=1S/C17H17ClN4O4/c1-10-9-14(20-26-10)17(25)22-8-4-7-21(22)16(24)12-5-3-6-13(15(12)18)19-11(2)23/h3,5-6,9H,4,7-8H2,1-2H3,(H,19,23)
InChIKeyRZOHLINHTLQIOU-UHFFFAOYSA-N
MW376.80 g/mol
LogP2.50
Rot. Bonds3

About N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide

N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide (PubChem CID 4669841) has the molecular formula C17H17ClN4O4 and a molecular weight of 376.80 g/mol. Its IUPAC name is N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide
PubChem CID4669841
Molecular FormulaC17H17ClN4O4
Molecular Weight376.80 g/mol
Exact Mass376.09
IUPAC NameN-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCCN2C(=O)c2cc(C)on2)c1Cl
InChIInChI=1S/C17H17ClN4O4/c1-10-9-14(20-26-10)17(25)22-8-4-7-21(22)16(24)12-5-3-6-13(15(12)18)19-11(2)23/h3,5-6,9H,4,7-8H2,1-2H3,(H,19,23)
InChIKeyRZOHLINHTLQIOU-UHFFFAOYSA-N
XLogP2.50
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 3716230
furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone
CID 3822140
cyclopropyl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone
CID 4990126
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
[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl] acetate
CID 3758692
N-[2-chloro-3-[2-[2-(cyclohexen-1-yl)ethylcarbamothioyl]pyrazolidine-1-carbonyl]phenyl]acetamide
CID 3713029
N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 3857154
2-(5-methyl-1,2-oxazole-3-carbonyl)-N-prop-2-enylpyrazolidine-1-carboxamide
CID 3742644
N-[2-[[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3363983
methyl 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110645755
N-(2,3-dichlorophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993994

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide (CID 4669841) is N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCCN2C(=O)c2cc(C)on2)c1Cl.
What is the InChIKey of N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide?
The InChIKey is RZOHLINHTLQIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O4/c1-10-9-14(20-26-10)17(25)22-8-4-7-21(22)16(24)12-5-3-6-13(15(12)18)19-11(2)23/h3,5-6,9H,4,7-8H2,1-2H3,(H,19,23).
What are the key properties of N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide?
N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide has a molecular weight of 376.80 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 4669841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).