N-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide

C12H16N2O2 — CID 75420353

IUPACN-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide
SMILESC#CCN(CC)C(=O)c1ncoc1C(C)C
InChIInChI=1S/C12H16N2O2/c1-5-7-14(6-2)12(15)10-11(9(3)4)16-8-13-10/h1,8-9H,6-7H2,2-4H3
InChIKeyBQDGIOXJCIUARQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.89
Rot. Bonds4

About N-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide

N-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide (PubChem CID 75420353) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide
PubChem CID75420353
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide
SMILESC#CCN(CC)C(=O)c1ncoc1C(C)C
InChIInChI=1S/C12H16N2O2/c1-5-7-14(6-2)12(15)10-11(9(3)4)16-8-13-10/h1,8-9H,6-7H2,2-4H3
InChIKeyBQDGIOXJCIUARQ-UHFFFAOYSA-N
XLogP1.89
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
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-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide (CID 75420353) is N-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide is C#CCN(CC)C(=O)c1ncoc1C(C)C.
What is the InChIKey of N-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide?
The InChIKey is BQDGIOXJCIUARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-5-7-14(6-2)12(15)10-11(9(3)4)16-8-13-10/h1,8-9H,6-7H2,2-4H3.
What are the key properties of N-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide?
N-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-propan-2-yl-N-prop-2-ynyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75420353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).