5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide

C18H20N4O3 — CID 122244410

IUPAC5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(C(CNC(=O)c2cc(C3CC3)on2)c2ccco2)n1
InChIInChI=1S/C18H20N4O3/c1-11-8-12(2)22(20-11)15(16-4-3-7-24-16)10-19-18(23)14-9-17(25-21-14)13-5-6-13/h3-4,7-9,13,15H,5-6,10H2,1-2H3,(H,19,23)
InChIKeyBYIDFVYSNISTSQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.98
Rot. Bonds6

About 5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 122244410) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID122244410
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(C(CNC(=O)c2cc(C3CC3)on2)c2ccco2)n1
InChIInChI=1S/C18H20N4O3/c1-11-8-12(2)22(20-11)15(16-4-3-7-24-16)10-19-18(23)14-9-17(25-21-14)13-5-6-13/h3-4,7-9,13,15H,5-6,10H2,1-2H3,(H,19,23)
InChIKeyBYIDFVYSNISTSQ-UHFFFAOYSA-N
XLogP2.98
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 122265553
5-cyclopropyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 95130287
5-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 95130289
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]furan-2-carboxamide
CID 122244387
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122265668
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 122265497
3-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]propanamide
CID 122265498
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 122265518
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3,4-difluorobenzamide
CID 122244397
4-cyano-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 122265502
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxyacetamide
CID 122265475
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 122244411

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 122244410) is 5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C)n(C(CNC(=O)c2cc(C3CC3)on2)c2ccco2)n1.
What is the InChIKey of 5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BYIDFVYSNISTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-8-12(2)22(20-11)15(16-4-3-7-24-16)10-19-18(23)14-9-17(25-21-14)13-5-6-13/h3-4,7-9,13,15H,5-6,10H2,1-2H3,(H,19,23).
What are the key properties of 5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122244410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).