4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole

C14H18N2OS — CID 56676084

IUPAC4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCC1CCCCN1Cc1coc(-c2cccs2)n1
InChIInChI=1S/C14H18N2OS/c1-11-5-2-3-7-16(11)9-12-10-17-14(15-12)13-6-4-8-18-13/h4,6,8,10-11H,2-3,5,7,9H2,1H3
InChIKeyXIQPOVLCHTWYRN-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.78
Rot. Bonds3

About 4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole

4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 56676084) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID56676084
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCC1CCCCN1Cc1coc(-c2cccs2)n1
InChIInChI=1S/C14H18N2OS/c1-11-5-2-3-7-16(11)9-12-10-17-14(15-12)13-6-4-8-18-13/h4,6,8,10-11H,2-3,5,7,9H2,1H3
InChIKeyXIQPOVLCHTWYRN-UHFFFAOYSA-N
XLogP3.78
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}tetrahydrofuran-3-amine
CID 16187472
(2R,6S)-2,6-dimethyl-4-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}morpholine
CID 16188352
3-Ethyl-4-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}piperazin-2-one
CID 16188734
5-{[2-(Morpholin-4-yl)ethyl]amino}-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile
CID 661062
5-(Dimethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 661233
5-(4-Phenylpiperazin-1-yl)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
CID 891859
5-(4-Morpholinyl)-2-thiophen-2-yl-4-oxazolecarbonitrile
CID 892396
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]ethanone
CID 6622134
Ethyl 4-(2-methoxyethyl)-1-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-4-piperidinecarboxylate
CID 16187309
2-(1-Isopropyl-4-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-2-piperazinyl)ethanol
CID 16191030
2-(1-(3-Methylbutyl)-4-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-2-piperazinyl)ethanol
CID 16192274
N-hydroxy-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 127027462

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole (CID 56676084) is 4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole is CC1CCCCN1Cc1coc(-c2cccs2)n1.
What is the InChIKey of 4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is XIQPOVLCHTWYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-11-5-2-3-7-16(11)9-12-10-17-14(15-12)13-6-4-8-18-13/h4,6,8,10-11H,2-3,5,7,9H2,1H3.
What are the key properties of 4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 262.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpiperidin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 56676084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).