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

C18H20N4O2 — CID 75455335

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1nc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)co1
InChIInChI=1S/C18H20N4O2/c1-4-17-20-16(11-24-17)18(23)19-10-15-12(2)21-22(13(15)3)14-8-6-5-7-9-14/h5-9,11H,4,10H2,1-3H3,(H,19,23)
InChIKeyOAYVUZXBLXSPBJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.97
Rot. Bonds5

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

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide (PubChem CID 75455335) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide
PubChem CID75455335
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide
SMILESCCc1nc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)co1
InChIInChI=1S/C18H20N4O2/c1-4-17-20-16(11-24-17)18(23)19-10-15-12(2)21-22(13(15)3)14-8-6-5-7-9-14/h5-9,11H,4,10H2,1-3H3,(H,19,23)
InChIKeyOAYVUZXBLXSPBJ-UHFFFAOYSA-N
XLogP2.97
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25024355
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 27882833
1-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]isoquinoline-3-carboxamide
CID 55668901
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513852
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide
CID 134013897
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481238
methyl 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]pyridine-3-carboxylate
CID 134039468
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824615
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 99699804
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907001

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide (CID 75455335) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide is CCc1nc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)co1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide?
The InChIKey is OAYVUZXBLXSPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-17-20-16(11-24-17)18(23)19-10-15-12(2)21-22(13(15)3)14-8-6-5-7-9-14/h5-9,11H,4,10H2,1-3H3,(H,19,23).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75455335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).