2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine

C12H14N4O2 — CID 67292473

IUPAC2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine
SMILESCc1nc(C#N)co1.Cc1nc(C2(N)CC2)co1
InChIInChI=1S/C7H10N2O.C5H4N2O/c1-5-9-6(4-10-5)7(8)2-3-7;1-4-7-5(2-6)3-8-4/h4H,2-3,8H2,1H3;3H,1H3
InChIKeyCKRKGXDXBKLVBZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.79
Rot. Bonds1

About 2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine

2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine (PubChem CID 67292473) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine
PubChem CID67292473
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine
SMILESCc1nc(C#N)co1.Cc1nc(C2(N)CC2)co1
InChIInChI=1S/C7H10N2O.C5H4N2O/c1-5-9-6(4-10-5)7(8)2-3-7;1-4-7-5(2-6)3-8-4/h4H,2-3,8H2,1H3;3H,1H3
InChIKeyCKRKGXDXBKLVBZ-UHFFFAOYSA-N
XLogP1.79
TPSA101.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine?
The IUPAC name of 2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine (CID 67292473) is 2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine is Cc1nc(C#N)co1.Cc1nc(C2(N)CC2)co1.
What is the InChIKey of 2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine?
The InChIKey is CKRKGXDXBKLVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C5H4N2O/c1-5-9-6(4-10-5)7(8)2-3-7;1-4-7-5(2-6)3-8-4/h4H,2-3,8H2,1H3;3H,1H3.
What are the key properties of 2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine?
2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine has a molecular weight of 246.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-oxazole-4-carbonitrile;1-(2-methyl-1,3-oxazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 67292473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).