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

C10H14N4O2 — CID 106659817

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)c2c(C)noc2C)n1
InChIInChI=1S/C10H14N4O2/c1-5(9-6(2)13-15-7(9)3)11-10-12-8(4)14-16-10/h5H,1-4H3,(H,11,12,14)
InChIKeyVTKCNIUEDKMNPH-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.16
Rot. Bonds3

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 106659817) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID106659817
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)c2c(C)noc2C)n1
InChIInChI=1S/C10H14N4O2/c1-5(9-6(2)13-15-7(9)3)11-10-12-8(4)14-16-10/h5H,1-4H3,(H,11,12,14)
InChIKeyVTKCNIUEDKMNPH-UHFFFAOYSA-N
XLogP2.16
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961774
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677451
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 79242353
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106659606
3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 106659554
3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine
CID 106659745
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]naphthalen-2-amine
CID 79242430
5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961715
5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 79002925
2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine
CID 79224969
5-[(tert-butylamino)methyl]-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106962688
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine
CID 79237569

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine (CID 106659817) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine is Cc1noc(NC(C)c2c(C)noc2C)n1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is VTKCNIUEDKMNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-5(9-6(2)13-15-7(9)3)11-10-12-8(4)14-16-10/h5H,1-4H3,(H,11,12,14).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 222.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).