N-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

C14H22N2O4 — CID 91773675

IUPACN-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)N(C)C2CCOC(C)(C)C2)c1CO
InChIInChI=1S/C14H22N2O4/c1-9-11(8-17)12(15-20-9)13(18)16(4)10-5-6-19-14(2,3)7-10/h10,17H,5-8H2,1-4H3
InChIKeyXITCTBPFXFFFSR-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.50
Rot. Bonds3

About N-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

N-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 91773675) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID91773675
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)N(C)C2CCOC(C)(C)C2)c1CO
InChIInChI=1S/C14H22N2O4/c1-9-11(8-17)12(15-20-9)13(18)16(4)10-5-6-19-14(2,3)7-10/h10,17H,5-8H2,1-4H3
InChIKeyXITCTBPFXFFFSR-UHFFFAOYSA-N
XLogP1.50
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 91773675) is N-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)N(C)C2CCOC(C)(C)C2)c1CO.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is XITCTBPFXFFFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9-11(8-17)12(15-20-9)13(18)16(4)10-5-6-19-14(2,3)7-10/h10,17H,5-8H2,1-4H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-4-(hydroxymethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91773675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).