(2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde

C10H14N2O2 — CID 100978793

IUPAC(2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde
SMILESCc1cc([C@]2(C=O)CCCN2C)on1
InChIInChI=1S/C10H14N2O2/c1-8-6-9(14-11-8)10(7-13)4-3-5-12(10)2/h6-7H,3-5H2,1-2H3/t10-/m1/s1
InChIKeyGEWNOPMVNSKRRY-SNVBAGLBSA-N
MW194.23 g/mol
LogP1.10
Rot. Bonds2

About (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde

(2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde (PubChem CID 100978793) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde
PubChem CID100978793
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde
SMILESCc1cc([C@]2(C=O)CCCN2C)on1
InChIInChI=1S/C10H14N2O2/c1-8-6-9(14-11-8)10(7-13)4-3-5-12(10)2/h6-7H,3-5H2,1-2H3/t10-/m1/s1
InChIKeyGEWNOPMVNSKRRY-SNVBAGLBSA-N
XLogP1.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(3-methyl-1,2-oxazol-5-yl)cyclopropan-1-amine
CID 82418469
[1-(3-methyl-1,2-oxazol-5-yl)cyclopentyl]methanamine
CID 82600680
(3-hydroxy-3-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 115874476
3-methyl-5-(7-methyl-7-azoniabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole chloride
CID 10911335
methyl 2-[methyl-[1-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarbonyl]amino]propanoate
CID 18729366
3,5-dimethyl-1,2-oxazole;methane
CID 162114046
1-(8-hydroxy-5-azaspiro[3.5]nonan-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 138004093
2-(1-aminocyclobutyl)-1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]ethanone
CID 91645490
(1-methylcyclopentyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 134039040
1-(3-methyl-1,2-oxazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162634313
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
(3R)-3-(3-methylbut-2-enyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 97119130

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde (CID 100978793) is (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde is Cc1cc([C@]2(C=O)CCCN2C)on1.
What is the InChIKey of (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde?
The InChIKey is GEWNOPMVNSKRRY-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-6-9(14-11-8)10(7-13)4-3-5-12(10)2/h6-7H,3-5H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde?
(2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 100978793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).