N-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide

C23H23N5O3 — CID 121020319

IUPACN-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2ccco2)on1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1
InChIInChI=1S/C23H23N5O3/c29-23(20-16-22(31-26-20)21-6-3-15-30-21)28(18-4-1-2-5-18)14-13-27-12-9-19(25-27)17-7-10-24-11-8-17/h3,6-12,15-16,18H,1-2,4-5,13-14H2
InChIKeyNSTKRVGOBVGAEO-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.28
Rot. Bonds7

About N-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide

N-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 121020319) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID121020319
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(c1cc(-c2ccco2)on1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1
InChIInChI=1S/C23H23N5O3/c29-23(20-16-22(31-26-20)21-6-3-15-30-21)28(18-4-1-2-5-18)14-13-27-12-9-19(25-27)17-7-10-24-11-8-17/h3,6-12,15-16,18H,1-2,4-5,13-14H2
InChIKeyNSTKRVGOBVGAEO-UHFFFAOYSA-N
XLogP4.28
TPSA90.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 121020319) is N-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is O=C(c1cc(-c2ccco2)on1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NSTKRVGOBVGAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c29-23(20-16-22(31-26-20)21-6-3-15-30-21)28(18-4-1-2-5-18)14-13-27-12-9-19(25-27)17-7-10-24-11-8-17/h3,6-12,15-16,18H,1-2,4-5,13-14H2.
What are the key properties of N-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
N-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(furan-2-yl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121020319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).