[1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol

C10H14N2O2 — CID 70280547

IUPAC[1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol
SMILESCc1cc(C2CCC(=CO)N2C)on1
InChIInChI=1S/C10H14N2O2/c1-7-5-10(14-11-7)9-4-3-8(6-13)12(9)2/h5-6,9,13H,3-4H2,1-2H3
InChIKeyDMQXRMCRZUKZSJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.15
Rot. Bonds1

About [1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol

[1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol (PubChem CID 70280547) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is [1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol.

Molecular Properties

Compound Name[1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol
PubChem CID70280547
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name[1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol
SMILESCc1cc(C2CCC(=CO)N2C)on1
InChIInChI=1S/C10H14N2O2/c1-7-5-10(14-11-7)9-4-3-8(6-13)12(9)2/h5-6,9,13H,3-4H2,1-2H3
InChIKeyDMQXRMCRZUKZSJ-UHFFFAOYSA-N
XLogP2.15
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-5-(1-methyl-2(S)-pyrrolidinyl)isoxazole
CID 119380
(R)-3-Methyl-5-(1-methylpyrrolidin-2-yl)isoxazole
CID 9859069
3-ethyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole
CID 9989851
(S)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole
CID 10057702
3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole
CID 10103768
(R)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole
CID 10130056
(2S)-2-[3-Ethylisoxazol-5-yl]pyrrolidine
CID 10261449
(R)-3-Ethyl-5-(pyrrolidin-2-yl)isoxazole
CID 10352051
ABT-418 hydrochloride
CID 10375597
3-Methyl-5-(pyrrolidin-2-yl)-1,2-oxazole
CID 15186065
3-butyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole
CID 44358877
3-(methoxymethyl)-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole
CID 44358878

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol?
The IUPAC name of [1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol (CID 70280547) is [1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol.
What is the SMILES notation for [1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol?
The canonical SMILES for [1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol is Cc1cc(C2CCC(=CO)N2C)on1.
What is the InChIKey of [1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol?
The InChIKey is DMQXRMCRZUKZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-5-10(14-11-7)9-4-3-8(6-13)12(9)2/h5-6,9,13H,3-4H2,1-2H3.
What are the key properties of [1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol?
[1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol has a molecular weight of 194.23 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-ylidene]methanol is sourced from PubChem (CID 70280547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).