N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C15H16N4O3 — CID 121020203

IUPACN-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCn1cc(-c2ccco2)cn1
InChIInChI=1S/C15H16N4O3/c1-10-14(11(2)22-18-10)15(20)16-5-6-19-9-12(8-17-19)13-4-3-7-21-13/h3-4,7-9H,5-6H2,1-2H3,(H,16,20)
InChIKeyPEJSGPSZJLRZPK-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.18
Rot. Bonds5

About N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 121020203) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID121020203
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCn1cc(-c2ccco2)cn1
InChIInChI=1S/C15H16N4O3/c1-10-14(11(2)22-18-10)15(20)16-5-6-19-9-12(8-17-19)13-4-3-7-21-13/h3-4,7-9H,5-6H2,1-2H3,(H,16,20)
InChIKeyPEJSGPSZJLRZPK-UHFFFAOYSA-N
XLogP2.18
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 121020203) is N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCn1cc(-c2ccco2)cn1.
What is the InChIKey of N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is PEJSGPSZJLRZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-10-14(11(2)22-18-10)15(20)16-5-6-19-9-12(8-17-19)13-4-3-7-21-13/h3-4,7-9H,5-6H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 121020203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).