5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide

C12H18N2O4 — CID 114211248

IUPAC5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOCCC(CO)NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C12H18N2O4/c1-17-5-4-9(7-15)13-12(16)10-6-11(18-14-10)8-2-3-8/h6,8-9,15H,2-5,7H2,1H3,(H,13,16)
InChIKeyKMDGQKCQLNVVFG-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.68
Rot. Bonds7

About 5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 114211248) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID114211248
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCOCCC(CO)NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C12H18N2O4/c1-17-5-4-9(7-15)13-12(16)10-6-11(18-14-10)8-2-3-8/h6,8-9,15H,2-5,7H2,1H3,(H,13,16)
InChIKeyKMDGQKCQLNVVFG-UHFFFAOYSA-N
XLogP0.68
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide (CID 114211248) is 5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide is COCCC(CO)NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is KMDGQKCQLNVVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-5-4-9(7-15)13-12(16)10-6-11(18-14-10)8-2-3-8/h6,8-9,15H,2-5,7H2,1H3,(H,13,16).
What are the key properties of 5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 114211248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).