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

C18H19ClN4O2 — CID 15988755

IUPACN-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)no1
InChIInChI=1S/C18H19ClN4O2/c1-4-14-9-16(22-25-14)18(24)20-17-11(2)21-23(12(17)3)10-13-7-5-6-8-15(13)19/h5-9H,4,10H2,1-3H3,(H,20,24)
InChIKeyFTBCPGFGHLSLEJ-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.00
Rot. Bonds5

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

N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 15988755) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide
PubChem CID15988755
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)no1
InChIInChI=1S/C18H19ClN4O2/c1-4-14-9-16(22-25-14)18(24)20-17-11(2)21-23(12(17)3)10-13-7-5-6-8-15(13)19/h5-9H,4,10H2,1-3H3,(H,20,24)
InChIKeyFTBCPGFGHLSLEJ-UHFFFAOYSA-N
XLogP4.00
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide (CID 15988755) is N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)no1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is FTBCPGFGHLSLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-4-14-9-16(22-25-14)18(24)20-17-11(2)21-23(12(17)3)10-13-7-5-6-8-15(13)19/h5-9H,4,10H2,1-3H3,(H,20,24).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide?
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).