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

C10H13N3O2 — CID 106370730

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,3-oxazol-5-yl)methanamine
SMILESCc1nc(CNCc2cnco2)oc1C
InChIInChI=1S/C10H13N3O2/c1-7-8(2)15-10(13-7)5-11-3-9-4-12-6-14-9/h4,6,11H,3,5H2,1-2H3
InChIKeyYTGGDVAJBZVHCZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.57
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,3-oxazol-5-yl)methanamine (PubChem CID 106370730) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,3-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,3-oxazol-5-yl)methanamine
PubChem CID106370730
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,3-oxazol-5-yl)methanamine
SMILESCc1nc(CNCc2cnco2)oc1C
InChIInChI=1S/C10H13N3O2/c1-7-8(2)15-10(13-7)5-11-3-9-4-12-6-14-9/h4,6,11H,3,5H2,1-2H3
InChIKeyYTGGDVAJBZVHCZ-UHFFFAOYSA-N
XLogP1.57
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,3-oxazol-5-yl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,3-oxazol-5-yl)methanamine (CID 106370730) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,3-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,3-oxazol-5-yl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,3-oxazol-5-yl)methanamine is Cc1nc(CNCc2cnco2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,3-oxazol-5-yl)methanamine?
The InChIKey is YTGGDVAJBZVHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-8(2)15-10(13-7)5-11-3-9-4-12-6-14-9/h4,6,11H,3,5H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,3-oxazol-5-yl)methanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,3-oxazol-5-yl)methanamine has a molecular weight of 207.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1,3-oxazol-5-yl)methanamine is sourced from PubChem (CID 106370730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).