N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide

C22H26N2O3 — CID 24817610

IUPACN-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide
SMILESC#CCN(C(=O)c1cc(COc2ccc(C)c(C)c2)on1)C1CCCCC1
InChIInChI=1S/C22H26N2O3/c1-4-12-24(18-8-6-5-7-9-18)22(25)21-14-20(27-23-21)15-26-19-11-10-16(2)17(3)13-19/h1,10-11,13-14,18H,5-9,12,15H2,2-3H3
InChIKeyUKCBLIIOTJTJRN-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.28
Rot. Bonds6

About N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide

N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide (PubChem CID 24817610) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide
PubChem CID24817610
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide
SMILESC#CCN(C(=O)c1cc(COc2ccc(C)c(C)c2)on1)C1CCCCC1
InChIInChI=1S/C22H26N2O3/c1-4-12-24(18-8-6-5-7-9-18)22(25)21-14-20(27-23-21)15-26-19-11-10-16(2)17(3)13-19/h1,10-11,13-14,18H,5-9,12,15H2,2-3H3
InChIKeyUKCBLIIOTJTJRN-UHFFFAOYSA-N
XLogP4.28
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

azocan-1-yl-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 24793926
N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 56760301
N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide
CID 717036
1-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-3-(oxan-4-yl)propan-1-one
CID 159756974
ethyl 1-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-2-carboxylate
CID 45192926
N-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 75417781
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 24791177
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-cyclobutyl-1,2-oxazole-3-carboxamide
CID 24817014
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(oxolan-3-yl)-1,2-oxazole-3-carboxamide
CID 24793101
[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 42415742
1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone
CID 115582250
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42192548

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide (CID 24817610) is N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide is C#CCN(C(=O)c1cc(COc2ccc(C)c(C)c2)on1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide?
The InChIKey is UKCBLIIOTJTJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-12-24(18-8-6-5-7-9-18)22(25)21-14-20(27-23-21)15-26-19-11-10-16(2)17(3)13-19/h1,10-11,13-14,18H,5-9,12,15H2,2-3H3.
What are the key properties of N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide?
N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24817610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).