(2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide

C18H31N3O3 — CID 99833118

IUPAC(2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1[C@H](C)CNC(=O)N1CCC[C@@]1(CO)CC(C)C
InChIInChI=1S/C18H31N3O3/c1-12(2)9-18(11-22)7-6-8-21(18)17(23)19-10-13(3)16-14(4)20-24-15(16)5/h12-13,22H,6-11H2,1-5H3,(H,19,23)/t13-,18+/m1/s1
InChIKeyMGDHGXUMQOSILQ-ACJLOTCBSA-N
MW337.46 g/mol
LogP2.98
Rot. Bonds6

About (2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide

(2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 99833118) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID99833118
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name(2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1[C@H](C)CNC(=O)N1CCC[C@@]1(CO)CC(C)C
InChIInChI=1S/C18H31N3O3/c1-12(2)9-18(11-22)7-6-8-21(18)17(23)19-10-13(3)16-14(4)20-24-15(16)5/h12-13,22H,6-11H2,1-5H3,(H,19,23)/t13-,18+/m1/s1
InChIKeyMGDHGXUMQOSILQ-ACJLOTCBSA-N
XLogP2.98
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 124730313
N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide
CID 129352978
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 167943119
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
CID 99830188
(2S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 99829812
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124568412
(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124588249
1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 97240369
(2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 125141643
1-cyclopentyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methylpyrazole-4-carboxamide
CID 99606970
[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 124848445
1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545063

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 99833118) is (2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide is Cc1noc(C)c1[C@H](C)CNC(=O)N1CCC[C@@]1(CO)CC(C)C.
What is the InChIKey of (2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is MGDHGXUMQOSILQ-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-12(2)9-18(11-22)7-6-8-21(18)17(23)19-10-13(3)16-14(4)20-24-15(16)5/h12-13,22H,6-11H2,1-5H3,(H,19,23)/t13-,18+/m1/s1.
What are the key properties of (2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide?
(2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99833118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).