N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide

C18H18N4O3 — CID 15994242

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
SMILESCc1c(NC(=O)c2noc3c2CCC3)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H18N4O3/c1-11-15(18(24)22(21(11)2)12-7-4-3-5-8-12)19-17(23)16-13-9-6-10-14(13)25-20-16/h3-5,7-8H,6,9-10H2,1-2H3,(H,19,23)
InChIKeyZJVMYMNKACWSLU-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.21
Rot. Bonds3

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide (PubChem CID 15994242) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
PubChem CID15994242
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide
SMILESCc1c(NC(=O)c2noc3c2CCC3)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H18N4O3/c1-11-15(18(24)22(21(11)2)12-7-4-3-5-8-12)19-17(23)16-13-9-6-10-14(13)25-20-16/h3-5,7-8H,6,9-10H2,1-2H3,(H,19,23)
InChIKeyZJVMYMNKACWSLU-UHFFFAOYSA-N
XLogP2.21
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(oxolan-2-ylmethoxy)benzamide
CID 42923993
3,3-dichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9-oxa-8-azatetracyclo[9.4.0.02,4.06,10]pentadeca-1(15),6(10),7,11,13-pentaene-7-carboxamide
CID 118514621
N-[1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
CID 118514614
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 24664585
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 17011657
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]benzoate
CID 26908983
N-[1-(4-ethylphenyl)-2,3-dimethyl-5-oxopyrazol-4-yl]-12-methoxy-3-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
CID 126715948
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)quinoline-3-carboxamide
CID 4555022
5-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
CID 15988896
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027957
N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3241508

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide (CID 15994242) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide is Cc1c(NC(=O)c2noc3c2CCC3)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
The InChIKey is ZJVMYMNKACWSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-15(18(24)22(21(11)2)12-7-4-3-5-8-12)19-17(23)16-13-9-6-10-14(13)25-20-16/h3-5,7-8H,6,9-10H2,1-2H3,(H,19,23).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 15994242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).