N-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide

C19H17Cl2N3O3 — CID 19444229

IUPACN-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)cc(OCc2c(C(=O)Nc3ncc(Cl)cc3Cl)noc2C)c1
InChIInChI=1S/C19H17Cl2N3O3/c1-10-4-11(2)6-14(5-10)26-9-15-12(3)27-24-17(15)19(25)23-18-16(21)7-13(20)8-22-18/h4-8H,9H2,1-3H3,(H,22,23,25)
InChIKeyUBKRXFLFNSLVQP-UHFFFAOYSA-N
MW406.27 g/mol
LogP5.13
Rot. Bonds5

About N-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19444229) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19444229
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)cc(OCc2c(C(=O)Nc3ncc(Cl)cc3Cl)noc2C)c1
InChIInChI=1S/C19H17Cl2N3O3/c1-10-4-11(2)6-14(5-10)26-9-15-12(3)27-24-17(15)19(25)23-18-16(21)7-13(20)8-22-18/h4-8H,9H2,1-3H3,(H,22,23,25)
InChIKeyUBKRXFLFNSLVQP-UHFFFAOYSA-N
XLogP5.13
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.27
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444351
4-[(3,5-dimethylphenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444313
N-[1-[(4-bromophenyl)methyl]-4-chloropyrazol-3-yl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444474
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444402
4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444413
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444421
4-[(3,5-dimethylphenoxy)methyl]-5-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19444450
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444359
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444262
N-(5-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443593
N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445278
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444227

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19444229) is N-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C)cc(OCc2c(C(=O)Nc3ncc(Cl)cc3Cl)noc2C)c1.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is UBKRXFLFNSLVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c1-10-4-11(2)6-14(5-10)26-9-15-12(3)27-24-17(15)19(25)23-18-16(21)7-13(20)8-22-18/h4-8H,9H2,1-3H3,(H,22,23,25).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 406.27 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-4-[(3,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19444229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).