N,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide

C9H14N2O2 — CID 130693334

IUPACN,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide
SMILESCCCc1onc(C)c1C(=O)NC
InChIInChI=1S/C9H14N2O2/c1-4-5-7-8(9(12)10-3)6(2)11-13-7/h4-5H2,1-3H3,(H,10,12)
InChIKeyWHJVTRQESVUOSC-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.30
Rot. Bonds3

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

N,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide (PubChem CID 130693334) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide
PubChem CID130693334
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide
SMILESCCCc1onc(C)c1C(=O)NC
InChIInChI=1S/C9H14N2O2/c1-4-5-7-8(9(12)10-3)6(2)11-13-7/h4-5H2,1-3H3,(H,10,12)
InChIKeyWHJVTRQESVUOSC-UHFFFAOYSA-N
XLogP1.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide (CID 130693334) is N,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide is CCCc1onc(C)c1C(=O)NC.
What is the InChIKey of N,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide?
The InChIKey is WHJVTRQESVUOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-5-7-8(9(12)10-3)6(2)11-13-7/h4-5H2,1-3H3,(H,10,12).
What are the key properties of N,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide?
N,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-propyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 130693334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).