N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine

C14H16N4O2S — CID 29028159

IUPACN-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine
SMILESCc1nonc1CN(C)Cc1nc(-c2ccsc2)oc1C
InChIInChI=1S/C14H16N4O2S/c1-9-12(17-20-16-9)6-18(3)7-13-10(2)19-14(15-13)11-4-5-21-8-11/h4-5,8H,6-7H2,1-3H3
InChIKeyZEHXZORFXSZRCL-UHFFFAOYSA-N
MW304.38 g/mol
LogP3.03
Rot. Bonds5

About N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine

N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine (PubChem CID 29028159) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine
PubChem CID29028159
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine
SMILESCc1nonc1CN(C)Cc1nc(-c2ccsc2)oc1C
InChIInChI=1S/C14H16N4O2S/c1-9-12(17-20-16-9)6-18(3)7-13-10(2)19-14(15-13)11-4-5-21-8-11/h4-5,8H,6-7H2,1-3H3
InChIKeyZEHXZORFXSZRCL-UHFFFAOYSA-N
XLogP3.03
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine?
The IUPAC name of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine (CID 29028159) is N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine is Cc1nonc1CN(C)Cc1nc(-c2ccsc2)oc1C.
What is the InChIKey of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine?
The InChIKey is ZEHXZORFXSZRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-12(17-20-16-9)6-18(3)7-13-10(2)19-14(15-13)11-4-5-21-8-11/h4-5,8H,6-7H2,1-3H3.
What are the key properties of N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine?
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine has a molecular weight of 304.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine is sourced from PubChem (CID 29028159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).