N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine

C14H19BrN2OS — CID 79997125

IUPACN-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1cc(-c2cnc(CCNC(C)(C)C)o2)sc1Br
InChIInChI=1S/C14H19BrN2OS/c1-9-7-11(19-13(9)15)10-8-16-12(18-10)5-6-17-14(2,3)4/h7-8,17H,5-6H2,1-4H3
InChIKeyCHBDMGBCXWIBOQ-UHFFFAOYSA-N
MW343.29 g/mol
LogP4.40
Rot. Bonds4

About N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine

N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 79997125) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
PubChem CID79997125
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC NameN-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
SMILESCc1cc(-c2cnc(CCNC(C)(C)C)o2)sc1Br
InChIInChI=1S/C14H19BrN2OS/c1-9-7-11(19-13(9)15)10-8-16-12(18-10)5-6-17-14(2,3)4/h7-8,17H,5-6H2,1-4H3
InChIKeyCHBDMGBCXWIBOQ-UHFFFAOYSA-N
XLogP4.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine (CID 79997125) is N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine is Cc1cc(-c2cnc(CCNC(C)(C)C)o2)sc1Br.
What is the InChIKey of N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is CHBDMGBCXWIBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c1-9-7-11(19-13(9)15)10-8-16-12(18-10)5-6-17-14(2,3)4/h7-8,17H,5-6H2,1-4H3.
What are the key properties of N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 343.29 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79997125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).