N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine

C11H15N3OS — CID 62686633

IUPACN'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C11H15N3OS/c1-14(5-4-12)7-9-8-15-11(13-9)10-3-2-6-16-10/h2-3,6,8H,4-5,7,12H2,1H3
InChIKeyPRJKNVXHDIEBEH-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.79
Rot. Bonds5

About N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine

N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 62686633) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID62686633
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C11H15N3OS/c1-14(5-4-12)7-9-8-15-11(13-9)10-3-2-6-16-10/h2-3,6,8H,4-5,7,12H2,1H3
InChIKeyPRJKNVXHDIEBEH-UHFFFAOYSA-N
XLogP1.79
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]butanoic acid
CID 55006274
1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 134001654
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine
CID 8803017
N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 62687553
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-amine
CID 66213906
N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine
CID 86983852
1-[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 95339556
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole
CID 97236392
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine (CID 62686633) is N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine is CN(CCN)Cc1coc(-c2cccs2)n1.
What is the InChIKey of N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is PRJKNVXHDIEBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-14(5-4-12)7-9-8-15-11(13-9)10-3-2-6-16-10/h2-3,6,8H,4-5,7,12H2,1H3.
What are the key properties of N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 237.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62686633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).