N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide

C17H23N3O2 — CID 119609069

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C17H23N3O2/c1-11(2)17(4,10-18)20-15(21)14-12(3)19-16(22-14)13-8-6-5-7-9-13/h5-9,11H,10,18H2,1-4H3,(H,20,21)
InChIKeyIBCAVEVUWINOAA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.75
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 119609069) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
PubChem CID119609069
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C17H23N3O2/c1-11(2)17(4,10-18)20-15(21)14-12(3)19-16(22-14)13-8-6-5-7-9-13/h5-9,11H,10,18H2,1-4H3,(H,20,21)
InChIKeyIBCAVEVUWINOAA-UHFFFAOYSA-N
XLogP2.75
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 120518600
4-methyl-N-[2-(methylamino)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119504426
N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119606599
N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 81485679
3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516514
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 81486834
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
CID 81486115
4-methyl-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
CID 120812827
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119598949
N-(1-amino-2-methylpropan-2-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 119523291
N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride
CID 119607556
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide
CID 106688596

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide (CID 119609069) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide is Cc1nc(-c2ccccc2)oc1C(=O)NC(C)(CN)C(C)C.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is IBCAVEVUWINOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11(2)17(4,10-18)20-15(21)14-12(3)19-16(22-14)13-8-6-5-7-9-13/h5-9,11H,10,18H2,1-4H3,(H,20,21).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 119609069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).