5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole

C14H19N3OS — CID 124757468

IUPAC5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCC(C)c1cc(CN2CCC[C@H]2c2nccs2)no1
InChIInChI=1S/C14H19N3OS/c1-10(2)13-8-11(16-18-13)9-17-6-3-4-12(17)14-15-5-7-19-14/h5,7-8,10,12H,3-4,6,9H2,1-2H3/t12-/m0/s1
InChIKeyWLDKAAIQQDQDIG-LBPRGKRZSA-N
MW277.39 g/mol
LogP3.59
Rot. Bonds4

About 5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole

5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole (PubChem CID 124757468) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
PubChem CID124757468
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCC(C)c1cc(CN2CCC[C@H]2c2nccs2)no1
InChIInChI=1S/C14H19N3OS/c1-10(2)13-8-11(16-18-13)9-17-6-3-4-12(17)14-15-5-7-19-14/h5,7-8,10,12H,3-4,6,9H2,1-2H3/t12-/m0/s1
InChIKeyWLDKAAIQQDQDIG-LBPRGKRZSA-N
XLogP3.59
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole (CID 124757468) is 5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole is CC(C)c1cc(CN2CCC[C@H]2c2nccs2)no1.
What is the InChIKey of 5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is WLDKAAIQQDQDIG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10(2)13-8-11(16-18-13)9-17-6-3-4-12(17)14-15-5-7-19-14/h5,7-8,10,12H,3-4,6,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 277.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 124757468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).