5-propan-2-yl-N-propyl-1,2-oxazole-3-carboxamide

C10H16N2O2 — CID 6621383

IUPAC5-propan-2-yl-N-propyl-1,2-oxazole-3-carboxamide
SMILESCCCNC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C10H16N2O2/c1-4-5-11-10(13)8-6-9(7(2)3)14-12-8/h6-7H,4-5H2,1-3H3,(H,11,13)
InChIKeyQFYNSGPNRRGXBX-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.94
Rot. Bonds4

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

5-propan-2-yl-N-propyl-1,2-oxazole-3-carboxamide (PubChem CID 6621383) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-propan-2-yl-N-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-propyl-1,2-oxazole-3-carboxamide
PubChem CID6621383
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-propan-2-yl-N-propyl-1,2-oxazole-3-carboxamide
SMILESCCCNC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C10H16N2O2/c1-4-5-11-10(13)8-6-9(7(2)3)14-12-8/h6-7H,4-5H2,1-3H3,(H,11,13)
InChIKeyQFYNSGPNRRGXBX-UHFFFAOYSA-N
XLogP1.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-propyl-1,2-oxazole-3-carboxamide (CID 6621383) is 5-propan-2-yl-N-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-propyl-1,2-oxazole-3-carboxamide is CCCNC(=O)c1cc(C(C)C)on1.
What is the InChIKey of 5-propan-2-yl-N-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is QFYNSGPNRRGXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-5-11-10(13)8-6-9(7(2)3)14-12-8/h6-7H,4-5H2,1-3H3,(H,11,13).
What are the key properties of 5-propan-2-yl-N-propyl-1,2-oxazole-3-carboxamide?
5-propan-2-yl-N-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 6621383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).