1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine

C15H22N2OS — CID 102673082

IUPAC1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(C(C)(C)C)s2)oc1C
InChIInChI=1S/C15H22N2OS/c1-10-11(2)18-14(17-10)9-16-8-12-6-7-13(19-12)15(3,4)5/h6-7,16H,8-9H2,1-5H3
InChIKeyMDTFSUTVGFSCKD-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.94
Rot. Bonds4

About 1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine

1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 102673082) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID102673082
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2ccc(C(C)(C)C)s2)oc1C
InChIInChI=1S/C15H22N2OS/c1-10-11(2)18-14(17-10)9-16-8-12-6-7-13(19-12)15(3,4)5/h6-7,16H,8-9H2,1-5H3
InChIKeyMDTFSUTVGFSCKD-UHFFFAOYSA-N
XLogP3.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

methyl 2-[5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-2-yl]acetate
CID 102673112
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 60972826
1-(5-tert-butylthiophen-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 81498908
N-[(5-tert-butylthiophen-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 103816282
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 62308041
2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine
CID 106370731
N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904213
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,3,6-trichlorophenyl)methanamine
CID 102673162
1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106370288
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyridin-2-amine
CID 106375630
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 106374123
1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673286

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 102673082) is 1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1nc(CNCc2ccc(C(C)(C)C)s2)oc1C.
What is the InChIKey of 1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is MDTFSUTVGFSCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-11(2)18-14(17-10)9-16-8-12-6-7-13(19-12)15(3,4)5/h6-7,16H,8-9H2,1-5H3.
What are the key properties of 1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 278.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 102673082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).