(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide

C18H24N2O3 — CID 27232500

IUPAC(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2cc(C(C)(C)C)on2)cc1C
InChIInChI=1S/C18H24N2O3/c1-11-7-8-14(9-12(11)2)22-13(3)17(21)19-16-10-15(23-20-16)18(4,5)6/h7-10,13H,1-6H3,(H,19,20,21)/t13-/m0/s1
InChIKeyWRCHTSAKUWIYAN-ZDUSSCGKSA-N
MW316.40 g/mol
LogP3.99
Rot. Bonds4

About (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide (PubChem CID 27232500) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide
PubChem CID27232500
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2cc(C(C)(C)C)on2)cc1C
InChIInChI=1S/C18H24N2O3/c1-11-7-8-14(9-12(11)2)22-13(3)17(21)19-16-10-15(23-20-16)18(4,5)6/h7-10,13H,1-6H3,(H,19,20,21)/t13-/m0/s1
InChIKeyWRCHTSAKUWIYAN-ZDUSSCGKSA-N
XLogP3.99
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 35524710
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
2-(4-benzoylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17394443
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
(2S)-2-(4-ethylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40636839
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methylphenyl)propanamide
CID 95077645
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
2-(3,4-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 53286343
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8949491
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266186
2-(3,4-dimethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166592

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide (CID 27232500) is (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C(C)(C)C)on2)cc1C.
What is the InChIKey of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide?
The InChIKey is WRCHTSAKUWIYAN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11-7-8-14(9-12(11)2)22-13(3)17(21)19-16-10-15(23-20-16)18(4,5)6/h7-10,13H,1-6H3,(H,19,20,21)/t13-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide?
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide has a molecular weight of 316.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 27232500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).