5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide

C12H18N2O3 — CID 115771332

IUPAC5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CCCO)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C12H18N2O3/c1-2-14(6-3-7-15)12(16)10-8-11(17-13-10)9-4-5-9/h8-9,15H,2-7H2,1H3
InChIKeySHYQVTLSQMNCQC-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.40
Rot. Bonds6

About 5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide (PubChem CID 115771332) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide
PubChem CID115771332
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CCCO)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C12H18N2O3/c1-2-14(6-3-7-15)12(16)10-8-11(17-13-10)9-4-5-9/h8-9,15H,2-7H2,1H3
InChIKeySHYQVTLSQMNCQC-UHFFFAOYSA-N
XLogP1.40
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide (CID 115771332) is 5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide is CCN(CCCO)C(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SHYQVTLSQMNCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-14(6-3-7-15)12(16)10-8-11(17-13-10)9-4-5-9/h8-9,15H,2-7H2,1H3.
What are the key properties of 5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 115771332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).