N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine

C14H19N3OS — CID 138001161

IUPACN-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESc1cc(CNCc2cc(C3CCNCC3)no2)cs1
InChIInChI=1S/C14H19N3OS/c1-4-15-5-2-12(1)14-7-13(18-17-14)9-16-8-11-3-6-19-10-11/h3,6-7,10,12,15-16H,1-2,4-5,8-9H2
InChIKeyJWVTVLWUSDGHRA-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.49
Rot. Bonds5

About N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 138001161) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID138001161
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESc1cc(CNCc2cc(C3CCNCC3)no2)cs1
InChIInChI=1S/C14H19N3OS/c1-4-15-5-2-12(1)14-7-13(18-17-14)9-16-8-11-3-6-19-10-11/h3,6-7,10,12,15-16H,1-2,4-5,8-9H2
InChIKeyJWVTVLWUSDGHRA-UHFFFAOYSA-N
XLogP2.49
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-piperidin-4-yl-1,2-oxazol-5-yl)methanol
CID 138046457
1-(2-ethoxy-3-pyridinyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 138001164
3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole
CID 83848363
methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate
CID 163373999
N-(thiophen-3-ylmethyl)piperidin-3-amine
CID 63248070
1-(3-cyclobutyl-1,2-oxazol-5-yl)-N-methylmethanamine
CID 83845888
5-bromo-3-piperidin-4-yl-1,2-oxazole
CID 84726349
2-[benzyl-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 155951941
2-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 60732816
1-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
CID 166238778
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63643321
3-thiophen-3-ylpyrrolidine;hydrochloride
CID 169498224

Frequently Asked Questions

What is the IUPAC name of N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine (CID 138001161) is N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine is c1cc(CNCc2cc(C3CCNCC3)no2)cs1.
What is the InChIKey of N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is JWVTVLWUSDGHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-15-5-2-12(1)14-7-13(18-17-14)9-16-8-11-3-6-19-10-11/h3,6-7,10,12,15-16H,1-2,4-5,8-9H2.
What are the key properties of N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 277.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 138001161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).