2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide

C16H27N3O3 — CID 810576

IUPAC2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)CC(=O)N(Cc1nc(C(=O)NC(C)C)co1)C(C)C
InChIInChI=1S/C16H27N3O3/c1-10(2)7-15(20)19(12(5)6)8-14-18-13(9-22-14)16(21)17-11(3)4/h9-12H,7-8H2,1-6H3,(H,17,21)
InChIKeyCRPQOWMBSSCISI-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.60
Rot. Bonds7

About 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide

2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 810576) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID810576
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)CC(=O)N(Cc1nc(C(=O)NC(C)C)co1)C(C)C
InChIInChI=1S/C16H27N3O3/c1-10(2)7-15(20)19(12(5)6)8-14-18-13(9-22-14)16(21)17-11(3)4/h9-12H,7-8H2,1-6H3,(H,17,21)
InChIKeyCRPQOWMBSSCISI-UHFFFAOYSA-N
XLogP2.60
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 7373871
methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810736
2-[[2-chloropropanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 4221238
ethyl 4-oxo-4-[propan-2-yl-[[4-(propan-2-ylcarbamoyl)-1,3-oxazol-2-yl]methyl]amino]butanoate
CID 4214606
N-[(2R)-butan-2-yl]-2-[[[(2R)-butan-2-yl]-(3-methylbutanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 7399785
2-[[(4-butoxybenzoyl)-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42766154
methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3417684
methyl 2-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810732
2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42831475
2-[(4-methoxyphenoxy)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42526219
N-butan-2-yl-2-[[butan-2-yl(3-cyclopentylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4665787
N-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3654857

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide (CID 810576) is 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)CC(=O)N(Cc1nc(C(=O)NC(C)C)co1)C(C)C.
What is the InChIKey of 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is CRPQOWMBSSCISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-10(2)7-15(20)19(12(5)6)8-14-18-13(9-22-14)16(21)17-11(3)4/h9-12H,7-8H2,1-6H3,(H,17,21).
What are the key properties of 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide?
2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 810576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).