3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide

C19H24N4O3 — CID 70772054

IUPAC3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)on1
InChIInChI=1S/C19H24N4O3/c1-13(2)9-16-10-17(26-22-16)19(25)23(11-14-5-7-20-8-6-14)12-15-3-4-18(24)21-15/h5-8,10,13,15H,3-4,9,11-12H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyLTODSOFLTHYGMT-HNNXBMFYSA-N
MW356.43 g/mol
LogP2.19
Rot. Bonds7

About 3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide

3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 70772054) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID70772054
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)on1
InChIInChI=1S/C19H24N4O3/c1-13(2)9-16-10-17(26-22-16)19(25)23(11-14-5-7-20-8-6-14)12-15-3-4-18(24)21-15/h5-8,10,13,15H,3-4,9,11-12H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyLTODSOFLTHYGMT-HNNXBMFYSA-N
XLogP2.19
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide (CID 70772054) is 3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide is CC(C)Cc1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)on1.
What is the InChIKey of 3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is LTODSOFLTHYGMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(2)9-16-10-17(26-22-16)19(25)23(11-14-5-7-20-8-6-14)12-15-3-4-18(24)21-15/h5-8,10,13,15H,3-4,9,11-12H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of 3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70772054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).