N,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide

C9H14N2O2 — CID 130662850

IUPACN,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCNC(=O)c1oc(C(C)C)nc1C
InChIInChI=1S/C9H14N2O2/c1-5(2)9-11-6(3)7(13-9)8(12)10-4/h5H,1-4H3,(H,10,12)
InChIKeyVIXOEEGXMMEBBG-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.47
Rot. Bonds2

About N,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide

N,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 130662850) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide
PubChem CID130662850
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCNC(=O)c1oc(C(C)C)nc1C
InChIInChI=1S/C9H14N2O2/c1-5(2)9-11-6(3)7(13-9)8(12)10-4/h5H,1-4H3,(H,10,12)
InChIKeyVIXOEEGXMMEBBG-UHFFFAOYSA-N
XLogP1.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide (CID 130662850) is N,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide is CNC(=O)c1oc(C(C)C)nc1C.
What is the InChIKey of N,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is VIXOEEGXMMEBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(2)9-11-6(3)7(13-9)8(12)10-4/h5H,1-4H3,(H,10,12).
What are the key properties of N,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide?
N,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 130662850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).