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

C17H23N3OS — CID 119926543

IUPACN-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
SMILESc1csc(-c2nc(CN3CCC(NCC4CC4)CC3)co2)c1
InChIInChI=1S/C17H23N3OS/c1-2-16(22-9-1)17-19-15(12-21-17)11-20-7-5-14(6-8-20)18-10-13-3-4-13/h1-2,9,12-14,18H,3-8,10-11H2
InChIKeyDEAXYCSFUQHMGN-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.37
Rot. Bonds6

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

N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine (PubChem CID 119926543) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
PubChem CID119926543
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
SMILESc1csc(-c2nc(CN3CCC(NCC4CC4)CC3)co2)c1
InChIInChI=1S/C17H23N3OS/c1-2-16(22-9-1)17-19-15(12-21-17)11-20-7-5-14(6-8-20)18-10-13-3-4-13/h1-2,9,12-14,18H,3-8,10-11H2
InChIKeyDEAXYCSFUQHMGN-UHFFFAOYSA-N
XLogP3.37
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine with MolForge

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Related Compounds

N-(cyclopropylmethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926344
1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920709
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 61295934
3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 81458720
4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 9116647
4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 46807668
4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 134011279
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
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 110985882
1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 120841434
2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684356

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine (CID 119926543) is N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine is c1csc(-c2nc(CN3CCC(NCC4CC4)CC3)co2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is DEAXYCSFUQHMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-2-16(22-9-1)17-19-15(12-21-17)11-20-7-5-14(6-8-20)18-10-13-3-4-13/h1-2,9,12-14,18H,3-8,10-11H2.
What are the key properties of N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 317.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 119926543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).