2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide

C19H26N2O2 — CID 100647997

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCc1noc(C)c1C(C)(C)C(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-13(11-12-16-9-7-6-8-10-16)20-18(22)19(4,5)17-14(2)21-23-15(17)3/h6-10,13H,11-12H2,1-5H3,(H,20,22)/t13-/m1/s1
InChIKeyAHSBURFQCRURCQ-CYBMUJFWSA-N
MW314.43 g/mol
LogP3.71
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide (PubChem CID 100647997) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
PubChem CID100647997
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCc1noc(C)c1C(C)(C)C(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-13(11-12-16-9-7-6-8-10-16)20-18(22)19(4,5)17-14(2)21-23-15(17)3/h6-10,13H,11-12H2,1-5H3,(H,20,22)/t13-/m1/s1
InChIKeyAHSBURFQCRURCQ-CYBMUJFWSA-N
XLogP3.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
5-(furan-2-yl)-3-methyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 46093897
3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46093882
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95064731
3-methyl-N-[(2S)-4-phenylbutan-2-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 92768024
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide (CID 100647997) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide is Cc1noc(C)c1C(C)(C)C(=O)N[C@H](C)CCc1ccccc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The InChIKey is AHSBURFQCRURCQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(11-12-16-9-7-6-8-10-16)20-18(22)19(4,5)17-14(2)21-23-15(17)3/h6-10,13H,11-12H2,1-5H3,(H,20,22)/t13-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide has a molecular weight of 314.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[(2R)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 100647997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).