N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C12H20N2O3 — CID 43500671

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NC(C)(C)CO
InChIInChI=1S/C12H20N2O3/c1-7(2)10-9(8(3)14-17-10)11(16)13-12(4,5)6-15/h7,15H,6H2,1-5H3,(H,13,16)
InChIKeyHHBJTLQVXPRIOC-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.61
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 43500671) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID43500671
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NC(C)(C)CO
InChIInChI=1S/C12H20N2O3/c1-7(2)10-9(8(3)14-17-10)11(16)13-12(4,5)6-15/h7,15H,6H2,1-5H3,(H,13,16)
InChIKeyHHBJTLQVXPRIOC-UHFFFAOYSA-N
XLogP1.61
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 43500671) is N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is HHBJTLQVXPRIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7(2)10-9(8(3)14-17-10)11(16)13-12(4,5)6-15/h7,15H,6H2,1-5H3,(H,13,16).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 43500671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).