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

C16H22N2OS — CID 43740637

IUPAC1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1noc(C)c1CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C16H22N2OS/c1-11-14(12(2)19-18-11)10-17-16(13-6-3-4-7-13)15-8-5-9-20-15/h5,8-9,13,16-17H,3-4,6-7,10H2,1-2H3
InChIKeyKCWPPHGCSNPMHY-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.37
Rot. Bonds5

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

1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 43740637) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID43740637
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1noc(C)c1CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C16H22N2OS/c1-11-14(12(2)19-18-11)10-17-16(13-6-3-4-7-13)15-8-5-9-20-15/h5,8-9,13,16-17H,3-4,6-7,10H2,1-2H3
InChIKeyKCWPPHGCSNPMHY-UHFFFAOYSA-N
XLogP4.37
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 43183580
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
CID 52691160
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224432
1-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62847543
1-cyclopentyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103898804
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62741804
1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 61016899
1-cyclopentyl-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43740567
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740523
N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740577
2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol
CID 63324944

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (CID 43740637) is 1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is Cc1noc(C)c1CNC(c1cccs1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is KCWPPHGCSNPMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-14(12(2)19-18-11)10-17-16(13-6-3-4-7-13)15-8-5-9-20-15/h5,8-9,13,16-17H,3-4,6-7,10H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 290.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43740637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).