4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine

C15H20N2OS — CID 79411454

IUPAC4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cc2c(s1)CCCCC2
InChIInChI=1S/C15H20N2OS/c1-2-6-11-14(18-17-15(11)16)13-9-10-7-4-3-5-8-12(10)19-13/h9H,2-8H2,1H3,(H2,16,17)
InChIKeyJUCYBOLDBLGMAF-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.21
Rot. Bonds3

About 4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine

4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine (PubChem CID 79411454) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine
PubChem CID79411454
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cc2c(s1)CCCCC2
InChIInChI=1S/C15H20N2OS/c1-2-6-11-14(18-17-15(11)16)13-9-10-7-4-3-5-8-12(10)19-13/h9H,2-8H2,1H3,(H2,16,17)
InChIKeyJUCYBOLDBLGMAF-UHFFFAOYSA-N
XLogP4.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-propyl-1,2-oxazol-3-amine
CID 81258392
4-chloro-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2-oxazol-3-amine
CID 79555452
5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4-ethyl-1,2-oxazol-3-amine
CID 81258238
N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342741
N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79145636
N-ethyl-2-[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65183360
[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326220
1-[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096145
5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411963
5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 81117241
3-amino-4-ethyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2-carbonitrile
CID 63465237
2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61326729

Frequently Asked Questions

What is the IUPAC name of 4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine (CID 79411454) is 4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1cc2c(s1)CCCCC2.
What is the InChIKey of 4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is JUCYBOLDBLGMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-6-11-14(18-17-15(11)16)13-9-10-7-4-3-5-8-12(10)19-13/h9H,2-8H2,1H3,(H2,16,17).
What are the key properties of 4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine?
4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine has a molecular weight of 276.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79411454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).