N-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide

C7H6N2O2 — CID 130662720

IUPACN-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1nocc1C
InChIInChI=1S/C7H6N2O2/c1-3-6(10)8-7-5(2)4-11-9-7/h1,4H,2H3,(H,8,9,10)
InChIKeyBEGASWCTDUXCBL-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.55
Rot. Bonds1

About N-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide

N-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide (PubChem CID 130662720) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is N-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide
PubChem CID130662720
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC NameN-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1nocc1C
InChIInChI=1S/C7H6N2O2/c1-3-6(10)8-7-5(2)4-11-9-7/h1,4H,2H3,(H,8,9,10)
InChIKeyBEGASWCTDUXCBL-UHFFFAOYSA-N
XLogP0.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide?
The IUPAC name of N-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide (CID 130662720) is N-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide.
What is the SMILES notation for N-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide?
The canonical SMILES for N-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide is C#CC(=O)Nc1nocc1C.
What is the InChIKey of N-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide?
The InChIKey is BEGASWCTDUXCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c1-3-6(10)8-7-5(2)4-11-9-7/h1,4H,2H3,(H,8,9,10).
What are the key properties of N-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide?
N-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide has a molecular weight of 150.14 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,2-oxazol-3-yl)prop-2-ynamide is sourced from PubChem (CID 130662720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).