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

C17H19ClN2O3 — CID 24817014

IUPAC5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(OCc2cc(C(=O)NC3CCC3)no2)cc(C)c1Cl
InChIInChI=1S/C17H19ClN2O3/c1-10-6-13(7-11(2)16(10)18)22-9-14-8-15(20-23-14)17(21)19-12-4-3-5-12/h6-8,12H,3-5,9H2,1-2H3,(H,19,21)
InChIKeyUVCOEFSJDPQHGZ-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.81
Rot. Bonds5

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

5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide (PubChem CID 24817014) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide
PubChem CID24817014
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(OCc2cc(C(=O)NC3CCC3)no2)cc(C)c1Cl
InChIInChI=1S/C17H19ClN2O3/c1-10-6-13(7-11(2)16(10)18)22-9-14-8-15(20-23-14)17(21)19-12-4-3-5-12/h6-8,12H,3-5,9H2,1-2H3,(H,19,21)
InChIKeyUVCOEFSJDPQHGZ-UHFFFAOYSA-N
XLogP3.81
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(2-methylsulfanylethyl)-1,2-oxazole-3-carboxamide
CID 25381337
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24791488
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42192548
N-cyclohexyl-5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110035
N-[4-(ethylamino)cyclohexyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66155543
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 25379111
5-[[4-[(3-methylbenzoyl)amino]phenoxy]methyl]-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 53110120
5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 24817207
1-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-3-(oxan-4-yl)propan-1-one
CID 159756974
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45208387
N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide
CID 24817610
2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17188384

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide (CID 24817014) is 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide is Cc1cc(OCc2cc(C(=O)NC3CCC3)no2)cc(C)c1Cl.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide?
The InChIKey is UVCOEFSJDPQHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-10-6-13(7-11(2)16(10)18)22-9-14-8-15(20-23-14)17(21)19-12-4-3-5-12/h6-8,12H,3-5,9H2,1-2H3,(H,19,21).
What are the key properties of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide?
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide has a molecular weight of 334.80 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24817014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).