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

C17H22N4OS — CID 77089799

IUPACN-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
SMILESCc1oc(-c2cccs2)nc1CN(C)CCCc1nccn1C
InChIInChI=1S/C17H22N4OS/c1-13-14(19-17(22-13)15-6-5-11-23-15)12-20(2)9-4-7-16-18-8-10-21(16)3/h5-6,8,10-11H,4,7,9,12H2,1-3H3
InChIKeyZMSDPWQWSBQPDA-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.51
Rot. Bonds7

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

N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine (PubChem CID 77089799) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
PubChem CID77089799
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
SMILESCc1oc(-c2cccs2)nc1CN(C)CCCc1nccn1C
InChIInChI=1S/C17H22N4OS/c1-13-14(19-17(22-13)15-6-5-11-23-15)12-20(2)9-4-7-16-18-8-10-21(16)3/h5-6,8,10-11H,4,7,9,12H2,1-3H3
InChIKeyZMSDPWQWSBQPDA-UHFFFAOYSA-N
XLogP3.51
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine (CID 77089799) is N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine is Cc1oc(-c2cccs2)nc1CN(C)CCCc1nccn1C.
What is the InChIKey of N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The InChIKey is ZMSDPWQWSBQPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13-14(19-17(22-13)15-6-5-11-23-15)12-20(2)9-4-7-16-18-8-10-21(16)3/h5-6,8,10-11H,4,7,9,12H2,1-3H3.
What are the key properties of N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine has a molecular weight of 330.46 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 77089799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).