4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine

C12H17N3OS — CID 113377629

IUPAC4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine
SMILESCCNCc1coc(N(C)Cc2ccsc2)n1
InChIInChI=1S/C12H17N3OS/c1-3-13-6-11-8-16-12(14-11)15(2)7-10-4-5-17-9-10/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyKIISNHWOQFQDHT-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.48
Rot. Bonds6

About 4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine

4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine (PubChem CID 113377629) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine
PubChem CID113377629
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine
SMILESCCNCc1coc(N(C)Cc2ccsc2)n1
InChIInChI=1S/C12H17N3OS/c1-3-13-6-11-8-16-12(14-11)15(2)7-10-4-5-17-9-10/h4-5,8-9,13H,3,6-7H2,1-2H3
InChIKeyKIISNHWOQFQDHT-UHFFFAOYSA-N
XLogP2.48
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine
CID 113377754
5-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 55054778
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528450
4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62280809
3-(ethylaminomethyl)-N,4,6-trimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62279601
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62421924
3-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62278909
N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine
CID 62279753
N-[(3-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)-1,3-oxazol-2-amine
CID 113377727
4-(ethylaminomethyl)-N,N-bis(2-methylpropyl)-1,3-oxazol-2-amine
CID 113377666
2-N-ethyl-2-N-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191536
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine?
The IUPAC name of 4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine (CID 113377629) is 4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine is CCNCc1coc(N(C)Cc2ccsc2)n1.
What is the InChIKey of 4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine?
The InChIKey is KIISNHWOQFQDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-3-13-6-11-8-16-12(14-11)15(2)7-10-4-5-17-9-10/h4-5,8-9,13H,3,6-7H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine?
4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine has a molecular weight of 251.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 113377629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).