N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide

C15H17N3O3 — CID 91764166

IUPACN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide
SMILESO=C(NC(Cc1ccncc1)C1CC(O)C1)c1cnco1
InChIInChI=1S/C15H17N3O3/c19-12-6-11(7-12)13(5-10-1-3-16-4-2-10)18-15(20)14-8-17-9-21-14/h1-4,8-9,11-13,19H,5-7H2,(H,18,20)
InChIKeyXFOLINPJPBFDNR-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.18
Rot. Bonds5

About N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide

N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide (PubChem CID 91764166) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide
PubChem CID91764166
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide
SMILESO=C(NC(Cc1ccncc1)C1CC(O)C1)c1cnco1
InChIInChI=1S/C15H17N3O3/c19-12-6-11(7-12)13(5-10-1-3-16-4-2-10)18-15(20)14-8-17-9-21-14/h1-4,8-9,11-13,19H,5-7H2,(H,18,20)
InChIKeyXFOLINPJPBFDNR-UHFFFAOYSA-N
XLogP1.18
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide (CID 91764166) is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide is O=C(NC(Cc1ccncc1)C1CC(O)C1)c1cnco1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is XFOLINPJPBFDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-12-6-11(7-12)13(5-10-1-3-16-4-2-10)18-15(20)14-8-17-9-21-14/h1-4,8-9,11-13,19H,5-7H2,(H,18,20).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide?
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91764166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).