N-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine

C13H18N2OS — CID 114282671

IUPACN-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)c1coc(C)n1
InChIInChI=1S/C13H18N2OS/c1-4-5-14-13(11-6-9(2)17-8-11)12-7-16-10(3)15-12/h6-8,13-14H,4-5H2,1-3H3
InChIKeySGRCHXIWRSMHDL-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.44
Rot. Bonds5

About N-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine

N-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 114282671) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID114282671
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)c1coc(C)n1
InChIInChI=1S/C13H18N2OS/c1-4-5-14-13(11-6-9(2)17-8-11)12-7-16-10(3)15-12/h6-8,13-14H,4-5H2,1-3H3
InChIKeySGRCHXIWRSMHDL-UHFFFAOYSA-N
XLogP3.44
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-2-pyridinyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 65104755
N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104805742
N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 65104445
N-[(3-chloro-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991233
N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991554
N-[(5-bromo-2-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991139
2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 65104961
N-[(5-methylthiophen-3-yl)-quinolin-8-ylmethyl]propan-1-amine
CID 105155523
N-[(2-methylsulfanylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991415
N-[(2-bromo-3-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107985069
N-[(2-bromo-4-chlorophenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107993607
N-[(5-bromo-2-fluorophenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 114894983

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine (CID 114282671) is N-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1csc(C)c1)c1coc(C)n1.
What is the InChIKey of N-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is SGRCHXIWRSMHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-4-5-14-13(11-6-9(2)17-8-11)12-7-16-10(3)15-12/h6-8,13-14H,4-5H2,1-3H3.
What are the key properties of N-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine?
N-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 250.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-oxazol-4-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114282671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).