N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide

C20H35N3O3 — CID 7373871

IUPACN-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)NC(=O)c1coc(CN(C(=O)C[C@@H](C)CC(C)(C)C)C(C)C)n1
InChIInChI=1S/C20H35N3O3/c1-13(2)21-19(25)16-12-26-17(22-16)11-23(14(3)4)18(24)9-15(5)10-20(6,7)8/h12-15H,9-11H2,1-8H3,(H,21,25)/t15-/m1/s1
InChIKeyOVWSAWWYMKDPTL-OAHLLOKOSA-N
MW365.52 g/mol
LogP4.01
Rot. Bonds8

About N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide

N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 7373871) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID7373871
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC NameN-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)NC(=O)c1coc(CN(C(=O)C[C@@H](C)CC(C)(C)C)C(C)C)n1
InChIInChI=1S/C20H35N3O3/c1-13(2)21-19(25)16-12-26-17(22-16)11-23(14(3)4)18(24)9-15(5)10-20(6,7)8/h12-15H,9-11H2,1-8H3,(H,21,25)/t15-/m1/s1
InChIKeyOVWSAWWYMKDPTL-OAHLLOKOSA-N
XLogP4.01
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 810576
N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 7397194
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
methyl 2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810736
methyl 2-[[pentyl-[(3R)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 7356750
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
2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 3494429
methyl 2-[[hexanoyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3417684
N-butan-2-yl-2-[[butan-2-yl(3-cyclopentylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4665787
2-[[1-phenylethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 46002301

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 7373871) is N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide is CC(C)NC(=O)c1coc(CN(C(=O)C[C@@H](C)CC(C)(C)C)C(C)C)n1.
What is the InChIKey of N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is OVWSAWWYMKDPTL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-13(2)21-19(25)16-12-26-17(22-16)11-23(14(3)4)18(24)9-15(5)10-20(6,7)8/h12-15H,9-11H2,1-8H3,(H,21,25)/t15-/m1/s1.
What are the key properties of N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide?
N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[propan-2-yl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 7373871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).