5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile

C10H9N3O2 — CID 694867

IUPAC5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(NCc2ccco2)o1
InChIInChI=1S/C10H9N3O2/c1-7-13-9(5-11)10(15-7)12-6-8-3-2-4-14-8/h2-4,12H,6H2,1H3
InChIKeyRZSKIVIFKAMZEY-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.06
Rot. Bonds3

About 5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile

5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile (PubChem CID 694867) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile
PubChem CID694867
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile
SMILESCc1nc(C#N)c(NCc2ccco2)o1
InChIInChI=1S/C10H9N3O2/c1-7-13-9(5-11)10(15-7)12-6-8-3-2-4-14-8/h2-4,12H,6H2,1H3
InChIKeyRZSKIVIFKAMZEY-UHFFFAOYSA-N
XLogP2.06
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylphenyl)-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 2218868
5-(furan-2-ylmethylamino)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carbonitrile
CID 750998
5-(furan-2-ylmethylamino)-2-[(E)-2-thiophen-2-ylethenyl]-1,3-oxazole-4-carbonitrile
CID 6200614
2-[(4-bromophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 3567596
5-(furan-2-ylmethylamino)-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 4750511
3-(furan-2-ylmethylamino)pyrazine-2-carbonitrile
CID 62671433
5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63756975
3-(furan-2-ylmethylamino)-4-methylbenzonitrile
CID 62103900
5-[2-(furan-2-yl)ethylamino]-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
CID 121402470
4-(furan-2-ylmethylamino)pyridine-2-carbonitrile
CID 62924814
2-[[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]amino]ethyl-dimethylazanium
CID 7562126
4-N-(2,6-dimethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871390

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile (CID 694867) is 5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile is Cc1nc(C#N)c(NCc2ccco2)o1.
What is the InChIKey of 5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile?
The InChIKey is RZSKIVIFKAMZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-7-13-9(5-11)10(15-7)12-6-8-3-2-4-14-8/h2-4,12H,6H2,1H3.
What are the key properties of 5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile?
5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile has a molecular weight of 203.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylamino)-2-methyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 694867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).