N-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide

C18H20N4O3 — CID 86266534

IUPACN-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccco2)Cc2nn(C)c3c2CCC3)no1
InChIInChI=1S/C18H20N4O3/c1-12-9-15(20-25-12)18(23)22(10-13-5-4-8-24-13)11-16-14-6-3-7-17(14)21(2)19-16/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyQHSDYONWBUMKEE-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.64
Rot. Bonds5

About N-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide

N-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 86266534) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID86266534
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccco2)Cc2nn(C)c3c2CCC3)no1
InChIInChI=1S/C18H20N4O3/c1-12-9-15(20-25-12)18(23)22(10-13-5-4-8-24-13)11-16-14-6-3-7-17(14)21(2)19-16/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyQHSDYONWBUMKEE-UHFFFAOYSA-N
XLogP2.64
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide
CID 72140959
N-cyclopentyl-N-((1-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)furan-2-carboxamide
CID 86266579
furan-2-yl-[3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 97519863
[5-(1-Ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone
CID 110196400
[5-(1-Ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-1-yl]methanone
CID 124042473
5-cyclopropyl-N-((5-(furan-2-yl)-1-methyl-1H-pyrazol-3-yl)methyl)isoxazole-3-carboxamide
CID 71797336
N-((5-(furan-2-yl)-1-(2-methoxyethyl)-1H-pyrazol-3-yl)methyl)-5-methylisoxazole-3-carboxamide
CID 71797361
N-((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)-N-(furan-2-ylmethyl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 86266451
N-(furan-2-ylmethyl)-1-methyl-N-((1-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 86266508
2-(benzo[d]isoxazol-3-yl)-N-(furan-2-ylmethyl)-N-((1-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)acetamide
CID 86266510
N-(furan-2-ylmethyl)-4-methyl-N-((1-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)-1,2,3-thiadiazole-5-carboxamide
CID 86266528
N-(furan-2-ylmethyl)-N-((1-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)nicotinamide
CID 86266529

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 86266534) is N-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(Cc2ccco2)Cc2nn(C)c3c2CCC3)no1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is QHSDYONWBUMKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-9-15(20-25-12)18(23)22(10-13-5-4-8-24-13)11-16-14-6-3-7-17(14)21(2)19-16/h4-5,8-9H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
N-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86266534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).