2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile

C14H13N5O2 — CID 664990

IUPAC2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1NCCCn1ccnc1
InChIInChI=1S/C14H13N5O2/c15-9-11-13(17-4-2-6-19-7-5-16-10-19)21-14(18-11)12-3-1-8-20-12/h1,3,5,7-8,10,17H,2,4,6H2
InChIKeyDIUDIYZBPHIDNP-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.50
Rot. Bonds6

About 2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile

2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 664990) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile
PubChem CID664990
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1NCCCn1ccnc1
InChIInChI=1S/C14H13N5O2/c15-9-11-13(17-4-2-6-19-7-5-16-10-19)21-14(18-11)12-3-1-8-20-12/h1,3,5,7-8,10,17H,2,4,6H2
InChIKeyDIUDIYZBPHIDNP-UHFFFAOYSA-N
XLogP2.50
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z)-1-(furan-2-yl)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 7317256
2-(2-Furanyl)-5-(2-furanylmethylamino)-4-oxazolecarbonitrile
CID 664051
(2E)-3-(2-furyl)-2-(2-furylcarbonylamino)-N-(3-imidazolylpropyl)prop-2-enamide
CID 5732091
US10716791, Code KP-288
CID 126616118
5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
CID 16958059
N-[2-(1-Cyclobutyl-5-methyl-1H-imidazol-2-YL)ethyl]furan-2-carboxamide
CID 91911668
4-[(2,4-Dimethylimidazol-1-yl)methyl]-2-(furan-2-yl)-1,3-oxazole
CID 56672480
5-(Furan-2-yl)-3-[(3-methylimidazol-4-yl)methyl]-1,2,4-oxadiazole
CID 100693663
N-[2-(1-Cyclopropyl-5-methyl-1H-imidazol-2-YL)ethyl]furan-2-carboxamide
CID 124063718
N-{2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethyl}furan-2-carboxamide
CID 124064101
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 46438505
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 55631564

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile (CID 664990) is 2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1NCCCn1ccnc1.
What is the InChIKey of 2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is DIUDIYZBPHIDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-9-11-13(17-4-2-6-19-7-5-16-10-19)21-14(18-11)12-3-1-8-20-12/h1,3,5,7-8,10,17H,2,4,6H2.
What are the key properties of 2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile?
2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 283.29 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 664990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).