3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide

C15H16Cl2N2O3 — CID 3540827

IUPAC3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1c(Cl)cc(-c2noc(C)c2C(=O)NC(C)C)cc1Cl
InChIInChI=1S/C15H16Cl2N2O3/c1-7(2)18-15(20)12-8(3)22-19-13(12)9-5-10(16)14(21-4)11(17)6-9/h5-7H,1-4H3,(H,18,20)
InChIKeyGMYWMMDJXPCPHC-UHFFFAOYSA-N
MW343.21 g/mol
LogP4.10
Rot. Bonds4

About 3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide

3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 3540827) has the molecular formula C15H16Cl2N2O3 and a molecular weight of 343.21 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID3540827
Molecular FormulaC15H16Cl2N2O3
Molecular Weight343.21 g/mol
Exact Mass342.05
IUPAC Name3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1c(Cl)cc(-c2noc(C)c2C(=O)NC(C)C)cc1Cl
InChIInChI=1S/C15H16Cl2N2O3/c1-7(2)18-15(20)12-8(3)22-19-13(12)9-5-10(16)14(21-4)11(17)6-9/h5-7H,1-4H3,(H,18,20)
InChIKeyGMYWMMDJXPCPHC-UHFFFAOYSA-N
XLogP4.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[N'-[(3,5-dichlorophenyl)methyl]carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 15941302
N-[N'-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 15941577
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 3329236
3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3540828
3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid 2-methoxy-benzylamide
CID 1050470
3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1220078
3-(2-chloro-6-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4264801
3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 3329237
N-benzyl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4057151
N-butan-2-yl-3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 3335209
N-[(3-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46097082
N-[N'-[(3,5-dichloro-4-propoxyphenyl)methyl]carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 71459037

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide (CID 3540827) is 3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide is COc1c(Cl)cc(-c2noc(C)c2C(=O)NC(C)C)cc1Cl.
What is the InChIKey of 3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is GMYWMMDJXPCPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O3/c1-7(2)18-15(20)12-8(3)22-19-13(12)9-5-10(16)14(21-4)11(17)6-9/h5-7H,1-4H3,(H,18,20).
What are the key properties of 3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide?
3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 343.21 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3540827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).