N-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine

C16H24N2OS — CID 65238025

IUPACN-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
SMILESCc1cc(-c2cnc(CCCNC(C)(C)C)o2)sc1C
InChIInChI=1S/C16H24N2OS/c1-11-9-14(20-12(11)2)13-10-17-15(19-13)7-6-8-18-16(3,4)5/h9-10,18H,6-8H2,1-5H3
InChIKeyJEUZHMIWVIORKH-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.34
Rot. Bonds5

About N-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine

N-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine (PubChem CID 65238025) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
PubChem CID65238025
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
SMILESCc1cc(-c2cnc(CCCNC(C)(C)C)o2)sc1C
InChIInChI=1S/C16H24N2OS/c1-11-9-14(20-12(11)2)13-10-17-15(19-13)7-6-8-18-16(3,4)5/h9-10,18H,6-8H2,1-5H3
InChIKeyJEUZHMIWVIORKH-UHFFFAOYSA-N
XLogP4.34
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 79997125
N-[2-[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 80538321
2-methyl-N-[3-[5-(2-methylfuran-3-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine
CID 65184735
N-[3-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 65185034
N-[3-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 79996430
N-[2-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65309326
2-methyl-N-[[5-(2-methyl-1,3-thiazol-5-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 114031453
N-ethyl-3-[5-(3-methylthiophen-2-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186772
N-[3-[5-(cyclopropylmethyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine
CID 65184883
N-[2-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 107984140
2-methyl-N-[3-[5-(oxan-4-yl)-1,3-oxazol-2-yl]propyl]propan-2-amine
CID 65184626
2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184322

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine (CID 65238025) is N-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine is Cc1cc(-c2cnc(CCCNC(C)(C)C)o2)sc1C.
What is the InChIKey of N-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
The InChIKey is JEUZHMIWVIORKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11-9-14(20-12(11)2)13-10-17-15(19-13)7-6-8-18-16(3,4)5/h9-10,18H,6-8H2,1-5H3.
What are the key properties of N-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine?
N-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine has a molecular weight of 292.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4,5-dimethylthiophen-2-yl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65238025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).