N-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide

C16H22ClN3O4 — CID 167965504

IUPACN-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide
SMILESCC1(C)CC(CNC(=O)C2(O)CCC2)N(C(=O)c2cc(Cl)no2)C1
InChIInChI=1S/C16H22ClN3O4/c1-15(2)7-10(8-18-14(22)16(23)4-3-5-16)20(9-15)13(21)11-6-12(17)19-24-11/h6,10,23H,3-5,7-9H2,1-2H3,(H,18,22)
InChIKeyOTHPYRGQOWBZJZ-UHFFFAOYSA-N
MW355.82 g/mol
LogP1.60
Rot. Bonds4

About N-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide

N-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide (PubChem CID 167965504) has the molecular formula C16H22ClN3O4 and a molecular weight of 355.82 g/mol. Its IUPAC name is N-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide
PubChem CID167965504
Molecular FormulaC16H22ClN3O4
Molecular Weight355.82 g/mol
Exact Mass355.13
IUPAC NameN-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide
SMILESCC1(C)CC(CNC(=O)C2(O)CCC2)N(C(=O)c2cc(Cl)no2)C1
InChIInChI=1S/C16H22ClN3O4/c1-15(2)7-10(8-18-14(22)16(23)4-3-5-16)20(9-15)13(21)11-6-12(17)19-24-11/h6,10,23H,3-5,7-9H2,1-2H3,(H,18,22)
InChIKeyOTHPYRGQOWBZJZ-UHFFFAOYSA-N
XLogP1.60
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide?
The IUPAC name of N-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide (CID 167965504) is N-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide.
What is the SMILES notation for N-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide?
The canonical SMILES for N-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide is CC1(C)CC(CNC(=O)C2(O)CCC2)N(C(=O)c2cc(Cl)no2)C1.
What is the InChIKey of N-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide?
The InChIKey is OTHPYRGQOWBZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O4/c1-15(2)7-10(8-18-14(22)16(23)4-3-5-16)20(9-15)13(21)11-6-12(17)19-24-11/h6,10,23H,3-5,7-9H2,1-2H3,(H,18,22).
What are the key properties of N-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide?
N-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide has a molecular weight of 355.82 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chloro-1,2-oxazole-5-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-1-hydroxycyclobutane-1-carboxamide is sourced from PubChem (CID 167965504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).