N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C21H26N4O2 — CID 8944312

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C21H26N4O2/c1-13(2)20-19(15(4)24-27-20)21(26)22-11-18-14(3)23-25(16(18)5)12-17-9-7-6-8-10-17/h6-10,13H,11-12H2,1-5H3,(H,22,26)
InChIKeyRHNGJFMOKMCGOX-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.90
Rot. Bonds6

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 8944312) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID8944312
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1c(C)noc1C(C)C
InChIInChI=1S/C21H26N4O2/c1-13(2)20-19(15(4)24-27-20)21(26)22-11-18-14(3)23-25(16(18)5)12-17-9-7-6-8-10-17/h6-10,13H,11-12H2,1-5H3,(H,22,26)
InChIKeyRHNGJFMOKMCGOX-UHFFFAOYSA-N
XLogP3.90
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 8944312) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1c(C)noc1C(C)C.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is RHNGJFMOKMCGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13(2)20-19(15(4)24-27-20)21(26)22-11-18-14(3)23-25(16(18)5)12-17-9-7-6-8-10-17/h6-10,13H,11-12H2,1-5H3,(H,22,26).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 8944312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).