N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C19H20Cl2N4O2 — CID 5308144

IUPACN-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C19H20Cl2N4O2/c1-10(2)17-8-16(24-27-17)19(26)22-18-11(3)23-25(12(18)4)9-13-14(20)6-5-7-15(13)21/h5-8,10H,9H2,1-4H3,(H,22,26)
InChIKeyPEJPYZVQSZEMNY-UHFFFAOYSA-N
MW407.30 g/mol
LogP5.22
Rot. Bonds5

About N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 5308144) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID5308144
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cc(C(C)C)on1
InChIInChI=1S/C19H20Cl2N4O2/c1-10(2)17-8-16(24-27-17)19(26)22-18-11(3)23-25(12(18)4)9-13-14(20)6-5-7-15(13)21/h5-8,10H,9H2,1-4H3,(H,22,26)
InChIKeyPEJPYZVQSZEMNY-UHFFFAOYSA-N
XLogP5.22
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.30
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 5308144) is N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cc(C(C)C)on1.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is PEJPYZVQSZEMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c1-10(2)17-8-16(24-27-17)19(26)22-18-11(3)23-25(12(18)4)9-13-14(20)6-5-7-15(13)21/h5-8,10H,9H2,1-4H3,(H,22,26).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 407.30 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5308144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).