N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide

C18H23FN2O3 — CID 71968911

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CC(C)C)CC(O)c2ccc(F)cc2)o1
InChIInChI=1S/C18H23FN2O3/c1-11(2)9-21(18(23)17-12(3)20-13(4)24-17)10-16(22)14-5-7-15(19)8-6-14/h5-8,11,16,22H,9-10H2,1-4H3
InChIKeyCZXCJGVCGHEUGC-UHFFFAOYSA-N
MW334.39 g/mol
LogP3.26
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide (PubChem CID 71968911) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide
PubChem CID71968911
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CC(C)C)CC(O)c2ccc(F)cc2)o1
InChIInChI=1S/C18H23FN2O3/c1-11(2)9-21(18(23)17-12(3)20-13(4)24-17)10-16(22)14-5-7-15(19)8-6-14/h5-8,11,16,22H,9-10H2,1-4H3
InChIKeyCZXCJGVCGHEUGC-UHFFFAOYSA-N
XLogP3.26
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190582
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 97082451
3-ethyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 138995809
N,N-diethyl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026164
4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride
CID 120562857
4-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 17386163
4-cyano-N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 97226208
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107491761
1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol
CID 111462210
3-(2-aminophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)propanamide
CID 120610892
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide
CID 111462207
3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516514

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide (CID 71968911) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)N(CC(C)C)CC(O)c2ccc(F)cc2)o1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
The InChIKey is CZXCJGVCGHEUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-11(2)9-21(18(23)17-12(3)20-13(4)24-17)10-16(22)14-5-7-15(19)8-6-14/h5-8,11,16,22H,9-10H2,1-4H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide has a molecular weight of 334.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 71968911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).