2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

C16H20N4O3 — CID 97005266

IUPAC2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CCOC2)CC1
InChIInChI=1S/C16H20N4O3/c17-9-13-16(23-14(18-13)11-1-2-11)20-6-4-19(5-7-20)15(21)12-3-8-22-10-12/h11-12H,1-8,10H2/t12-/m0/s1
InChIKeyOJFAGKGBHFPSID-LBPRGKRZSA-N
MW316.36 g/mol
LogP1.11
Rot. Bonds3

About 2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 97005266) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
PubChem CID97005266
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CCOC2)CC1
InChIInChI=1S/C16H20N4O3/c17-9-13-16(23-14(18-13)11-1-2-11)20-6-4-19(5-7-20)15(21)12-3-8-22-10-12/h11-12H,1-8,10H2/t12-/m0/s1
InChIKeyOJFAGKGBHFPSID-LBPRGKRZSA-N
XLogP1.11
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile (CID 97005266) is 2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile is N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CCOC2)CC1.
What is the InChIKey of 2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
The InChIKey is OJFAGKGBHFPSID-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O3/c17-9-13-16(23-14(18-13)11-1-2-11)20-6-4-19(5-7-20)15(21)12-3-8-22-10-12/h11-12H,1-8,10H2/t12-/m0/s1.
What are the key properties of 2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile?
2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-[(3S)-oxolane-3-carbonyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 97005266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).