3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea

C16H28N4O2 — CID 72875507

IUPAC3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
SMILESCc1noc(C)c1CN1C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C1
InChIInChI=1S/C16H28N4O2/c1-10(2)13-7-20(8-14-11(3)18-22-12(14)4)9-15(13)17-16(21)19(5)6/h10,13,15H,7-9H2,1-6H3,(H,17,21)/t13-,15+/m0/s1
InChIKeyXWMOUCYVTQNEFH-DZGCQCFKSA-N
MW308.43 g/mol
LogP2.02
Rot. Bonds4

About 3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea

3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea (PubChem CID 72875507) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
PubChem CID72875507
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
SMILESCc1noc(C)c1CN1C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C1
InChIInChI=1S/C16H28N4O2/c1-10(2)13-7-20(8-14-11(3)18-22-12(14)4)9-15(13)17-16(21)19(5)6/h10,13,15H,7-9H2,1-6H3,(H,17,21)/t13-,15+/m0/s1
InChIKeyXWMOUCYVTQNEFH-DZGCQCFKSA-N
XLogP2.02
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea with MolForge

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9506625
9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3233221
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9465685
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(3-methylbutyl)-1,2-oxazole-4-carboxamide
CID 24686840
3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
3-((3,5-Dimethylisoxazol-4-yl)methyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2363815
[(2S,4S)-1-[(dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methanamine
CID 119030852
(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3233416
9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-yl-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 3234297
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 24687252
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 32117010
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide
CID 45887235

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea?
The IUPAC name of 3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea (CID 72875507) is 3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea is Cc1noc(C)c1CN1C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C1.
What is the InChIKey of 3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea?
The InChIKey is XWMOUCYVTQNEFH-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-10(2)13-7-20(8-14-11(3)18-22-12(14)4)9-15(13)17-16(21)19(5)6/h10,13,15H,7-9H2,1-6H3,(H,17,21)/t13-,15+/m0/s1.
What are the key properties of 3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea?
3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea has a molecular weight of 308.43 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea is sourced from PubChem (CID 72875507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).