[5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C16H26N2O3 — CID 10447165

IUPAC[5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCCC[C@H](C)c1onc(C)c1C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C16H26N2O3/c1-4-5-7-11(2)15-14(12(3)17-21-15)16(20)18-9-6-8-13(18)10-19/h11,13,19H,4-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyQNMSXWUQFASCFL-AAEUAGOBSA-N
MW294.40 g/mol
LogP2.87
Rot. Bonds6

About [5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

[5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 10447165) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is [5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID10447165
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name[5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCCC[C@H](C)c1onc(C)c1C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C16H26N2O3/c1-4-5-7-11(2)15-14(12(3)17-21-15)16(20)18-9-6-8-13(18)10-19/h11,13,19H,4-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyQNMSXWUQFASCFL-AAEUAGOBSA-N
XLogP2.87
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-methyl-5-[(1R)-1-phenylsulfanylethyl]-1,2-oxazol-4-yl]methanone
CID 10066215
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95352842
[3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 43403556
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806
ethyl (3R)-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-3-carboxylate
CID 94809108
4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,5,6-trimethylpyridazin-3-one
CID 66261719
[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110625802
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 79029056
(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28777862
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 66262063
2-(hydroxymethyl)-N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 111427710
(2,6-difluoro-3-methylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 82815937

Frequently Asked Questions

What is the IUPAC name of [5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 10447165) is [5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is CCCC[C@H](C)c1onc(C)c1C(=O)N1CCC[C@H]1CO.
What is the InChIKey of [5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is QNMSXWUQFASCFL-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-5-7-11(2)15-14(12(3)17-21-15)16(20)18-9-6-8-13(18)10-19/h11,13,19H,4-10H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of [5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 294.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2S)-hexan-2-yl]-3-methyl-1,2-oxazol-4-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 10447165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).