5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide

C12H16N2O3 — CID 50951335

IUPAC5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ncoc1C1CC1
InChIInChI=1S/C12H16N2O3/c15-12(13-6-9-2-1-5-16-9)10-11(8-3-4-8)17-7-14-10/h7-9H,1-6H2,(H,13,15)/t9-/m0/s1
InChIKeyTZSABBLKAORNTO-VIFPVBQESA-N
MW236.27 g/mol
LogP1.46
Rot. Bonds4

About 5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 50951335) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID50951335
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ncoc1C1CC1
InChIInChI=1S/C12H16N2O3/c15-12(13-6-9-2-1-5-16-9)10-11(8-3-4-8)17-7-14-10/h7-9H,1-6H2,(H,13,15)/t9-/m0/s1
InChIKeyTZSABBLKAORNTO-VIFPVBQESA-N
XLogP1.46
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide (CID 50951335) is 5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide is O=C(NC[C@@H]1CCCO1)c1ncoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is TZSABBLKAORNTO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12(13-6-9-2-1-5-16-9)10-11(8-3-4-8)17-7-14-10/h7-9H,1-6H2,(H,13,15)/t9-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 50951335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).