2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

C16H16N4O4 — CID 34406148

IUPAC2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN([C@H]2CCOC2=O)CC1
InChIInChI=1S/C16H16N4O4/c17-10-11-15(24-14(18-11)13-2-1-8-22-13)20-6-4-19(5-7-20)12-3-9-23-16(12)21/h1-2,8,12H,3-7,9H2/t12-/m0/s1
InChIKeyFDURSTWPPZLLOW-LBPRGKRZSA-N
MW328.33 g/mol
LogP1.24
Rot. Bonds3

About 2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 34406148) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID34406148
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCN([C@H]2CCOC2=O)CC1
InChIInChI=1S/C16H16N4O4/c17-10-11-15(24-14(18-11)13-2-1-8-22-13)20-6-4-19(5-7-20)12-3-9-23-16(12)21/h1-2,8,12H,3-7,9H2/t12-/m0/s1
InChIKeyFDURSTWPPZLLOW-LBPRGKRZSA-N
XLogP1.24
TPSA95.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-Ethyl-4-{[{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)amino]methyl}pyrrolidin-2-one
CID 16188209
2-(Furan-2-yl)-5-{[2-(morpholin-4-yl)ethyl]amino}-1,3-oxazole-4-carbonitrile
CID 663571
5-[4-(Diphenylmethyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 663839
5-[4-(3-Chlorophenyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 663864
2-(Furan-2-yl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 663891
2-(2-Furanyl)-5-(2-furanylmethylamino)-4-oxazolecarbonitrile
CID 664051
2-(2-Furanyl)-5-[4-(phenylmethyl)-1-piperazinyl]-4-oxazolecarbonitrile
CID 664562
2-(Furan-2-yl)-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 664655
2-(Furan-2-yl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 664671
5-(3,5-Dimethylpiperidin-1-yl)-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 2963490
5-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-phenyl-1,3-oxazole-4-carbonitrile
CID 6462072
2-(5-(Phenoxymethyl)furan-2-yl)-5-(piperidin-1-yl)oxazole-4-carbonitrile
CID 16014876

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 34406148) is 2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1N1CCN([C@H]2CCOC2=O)CC1.
What is the InChIKey of 2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is FDURSTWPPZLLOW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N4O4/c17-10-11-15(24-14(18-11)13-2-1-8-22-13)20-6-4-19(5-7-20)12-3-9-23-16(12)21/h1-2,8,12H,3-7,9H2/t12-/m0/s1.
What are the key properties of 2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 328.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-[(3S)-2-oxooxolan-3-yl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 34406148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).