N-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine

C14H18N2OS — CID 79145539

IUPACN-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ncoc1-c1cc2c(s1)CCC2
InChIInChI=1S/C14H18N2OS/c1-2-6-15-8-11-14(17-9-16-11)13-7-10-4-3-5-12(10)18-13/h7,9,15H,2-6,8H2,1H3
InChIKeyZHGMSSGWTPOPTK-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.39
Rot. Bonds5

About N-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine

N-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 79145539) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID79145539
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ncoc1-c1cc2c(s1)CCC2
InChIInChI=1S/C14H18N2OS/c1-2-6-15-8-11-14(17-9-16-11)13-7-10-4-3-5-12(10)18-13/h7,9,15H,2-6,8H2,1H3
InChIKeyZHGMSSGWTPOPTK-UHFFFAOYSA-N
XLogP3.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145636
4-(bromomethyl)-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole
CID 79154029
N-[[5-(3,4,5-trifluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79146106
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352
N-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 79145639
N-[(5-methyl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 79145725
N-[[5-(3-chloro-4-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145920
N-[[2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81261265
N-[[5-(2-bromo-5-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79144790
N-[[5-(2,4-dibromophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 114019049
N-[[5-(1-benzofuran-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145257
N-ethyl-2-[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65183360

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 79145539) is N-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1ncoc1-c1cc2c(s1)CCC2.
What is the InChIKey of N-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is ZHGMSSGWTPOPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-6-15-8-11-14(17-9-16-11)13-7-10-4-3-5-12(10)18-13/h7,9,15H,2-6,8H2,1H3.
What are the key properties of N-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
N-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79145539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).