N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

C14H20N2OS — CID 79975719

IUPACN-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1ccsc1-c1nc(CNC(C)(C)C)co1
InChIInChI=1S/C14H20N2OS/c1-5-10-6-7-18-12(10)13-16-11(9-17-13)8-15-14(2,3)4/h6-7,9,15H,5,8H2,1-4H3
InChIKeyCGOLWINCVNMMQF-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.85
Rot. Bonds4

About N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79975719) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID79975719
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1ccsc1-c1nc(CNC(C)(C)C)co1
InChIInChI=1S/C14H20N2OS/c1-5-10-6-7-18-12(10)13-16-11(9-17-13)8-15-14(2,3)4/h6-7,9,15H,5,8H2,1-4H3
InChIKeyCGOLWINCVNMMQF-UHFFFAOYSA-N
XLogP3.85
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (CID 79975719) is N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is CCc1ccsc1-c1nc(CNC(C)(C)C)co1.
What is the InChIKey of N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CGOLWINCVNMMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-5-10-6-7-18-12(10)13-16-11(9-17-13)8-15-14(2,3)4/h6-7,9,15H,5,8H2,1-4H3.
What are the key properties of N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 264.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79975719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).