5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide

C8H10N2O3 — CID 67536499

IUPAC5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1cc(C2(CO)CC2)on1
InChIInChI=1S/C8H10N2O3/c9-7(12)5-3-6(13-10-5)8(4-11)1-2-8/h3,11H,1-2,4H2,(H2,9,12)
InChIKeyLDXPYKXVIVUOCF-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.20
Rot. Bonds3

About 5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide

5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide (PubChem CID 67536499) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide
PubChem CID67536499
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1cc(C2(CO)CC2)on1
InChIInChI=1S/C8H10N2O3/c9-7(12)5-3-6(13-10-5)8(4-11)1-2-8/h3,11H,1-2,4H2,(H2,9,12)
InChIKeyLDXPYKXVIVUOCF-UHFFFAOYSA-N
XLogP-0.20
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide (CID 67536499) is 5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide is NC(=O)c1cc(C2(CO)CC2)on1.
What is the InChIKey of 5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LDXPYKXVIVUOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-7(12)5-3-6(13-10-5)8(4-11)1-2-8/h3,11H,1-2,4H2,(H2,9,12).
What are the key properties of 5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide?
5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide has a molecular weight of 182.18 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(hydroxymethyl)cyclopropyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67536499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).