1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine

C13H17N3OS — CID 61295934

IUPAC1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
SMILESNC1CCCN(Cc2coc(-c3cccs3)n2)C1
InChIInChI=1S/C13H17N3OS/c14-10-3-1-5-16(7-10)8-11-9-17-13(15-11)12-4-2-6-18-12/h2,4,6,9-10H,1,3,5,7-8,14H2
InChIKeyHWUXHVGGQHXGKC-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.33
Rot. Bonds3

About 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine

1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine (PubChem CID 61295934) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
PubChem CID61295934
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
SMILESNC1CCCN(Cc2coc(-c3cccs3)n2)C1
InChIInChI=1S/C13H17N3OS/c14-10-3-1-5-16(7-10)8-11-9-17-13(15-11)12-4-2-6-18-12/h2,4,6,9-10H,1,3,5,7-8,14H2
InChIKeyHWUXHVGGQHXGKC-UHFFFAOYSA-N
XLogP2.33
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 81458720
1-(3-aminopiperidin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 119377508
N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 119926543
1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920709
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-thiophen-2-yl-1,3-oxazole
CID 102682109
(2S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119910746
4-[[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 95768126
(3S)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933954
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
CID 55029906
2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684356
(2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 95277466
(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 81491549

Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine (CID 61295934) is 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine is NC1CCCN(Cc2coc(-c3cccs3)n2)C1.
What is the InChIKey of 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is HWUXHVGGQHXGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c14-10-3-1-5-16(7-10)8-11-9-17-13(15-11)12-4-2-6-18-12/h2,4,6,9-10H,1,3,5,7-8,14H2.
What are the key properties of 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine?
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 263.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 61295934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).