N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

C12H18N2O3 — CID 70727741

IUPACN-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCOCC2)on1
InChIInChI=1S/C12H18N2O3/c1-8(2)10-7-11(17-14-10)12(15)13-9-3-5-16-6-4-9/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyPUORQBLQJMAARZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.71
Rot. Bonds3

About N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 70727741) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID70727741
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCOCC2)on1
InChIInChI=1S/C12H18N2O3/c1-8(2)10-7-11(17-14-10)12(15)13-9-3-5-16-6-4-9/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyPUORQBLQJMAARZ-UHFFFAOYSA-N
XLogP1.71
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 70727741) is N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)NC2CCOCC2)on1.
What is the InChIKey of N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is PUORQBLQJMAARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(2)10-7-11(17-14-10)12(15)13-9-3-5-16-6-4-9/h7-9H,3-6H2,1-2H3,(H,13,15).
What are the key properties of N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70727741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).