2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide

C15H16Cl2N2O3 — CID 71860642

IUPAC2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide
SMILESCc1noc(C)c1CC(C)NC(=O)c1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O3/c1-7(4-11-8(2)19-22-9(11)3)18-15(21)14-12(17)5-10(16)6-13(14)20/h5-7,20H,4H2,1-3H3,(H,18,21)
InChIKeyHIBXYNNIVNIULL-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.66
Rot. Bonds4

About 2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide

2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide (PubChem CID 71860642) has the molecular formula C15H16Cl2N2O3 and a molecular weight of 343.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide
PubChem CID71860642
Molecular FormulaC15H16Cl2N2O3
Molecular Weight343.21 g/mol
Exact Mass342.05
IUPAC Name2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide
SMILESCc1noc(C)c1CC(C)NC(=O)c1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O3/c1-7(4-11-8(2)19-22-9(11)3)18-15(21)14-12(17)5-10(16)6-13(14)20/h5-7,20H,4H2,1-3H3,(H,18,21)
InChIKeyHIBXYNNIVNIULL-UHFFFAOYSA-N
XLogP3.66
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-6-hydroxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 97234758
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 111439093
N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 99697784
2,4-dichloro-N-(1-cyanopropan-2-yl)-6-hydroxybenzamide
CID 75424748
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]furan-2-carboxylic acid
CID 120692172
5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride
CID 120635010
1-(2-chloro-5-nitrophenyl)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]urea
CID 75398051
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 126769962
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide
CID 126823450
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 119137421
1-(5-chloro-8-methylquinolin-2-yl)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]urea
CID 86814785
1-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(4-ethynyl-2,6-difluorophenyl)urea
CID 97328707

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide?
The IUPAC name of 2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide (CID 71860642) is 2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide is Cc1noc(C)c1CC(C)NC(=O)c1c(O)cc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide?
The InChIKey is HIBXYNNIVNIULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O3/c1-7(4-11-8(2)19-22-9(11)3)18-15(21)14-12(17)5-10(16)6-13(14)20/h5-7,20H,4H2,1-3H3,(H,18,21).
What are the key properties of 2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide?
2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide has a molecular weight of 343.21 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-hydroxybenzamide is sourced from PubChem (CID 71860642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).