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

C17H27N3O3 — CID 3654857

IUPACN-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(C)NC(=O)c1coc(CN(C(=O)C2CC2)C(C)CC)n1
InChIInChI=1S/C17H27N3O3/c1-5-11(3)18-16(21)14-10-23-15(19-14)9-20(12(4)6-2)17(22)13-7-8-13/h10-13H,5-9H2,1-4H3,(H,18,21)
InChIKeyJCXMDJFTBCLLEG-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.74
Rot. Bonds8

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

N-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3654857) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID3654857
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(C)NC(=O)c1coc(CN(C(=O)C2CC2)C(C)CC)n1
InChIInChI=1S/C17H27N3O3/c1-5-11(3)18-16(21)14-10-23-15(19-14)9-20(12(4)6-2)17(22)13-7-8-13/h10-13H,5-9H2,1-4H3,(H,18,21)
InChIKeyJCXMDJFTBCLLEG-UHFFFAOYSA-N
XLogP2.74
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(2R)-butan-2-yl]-2-[[[(2R)-butan-2-yl]-(3-methylbutanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 7399785
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-(4-fluorobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3950023
N-[(2R)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 1197157
N-[(2S)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-[(2R)-2-chloro-2-phenylacetyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 7217557
N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93158009
N-[(2S)-butan-2-yl]-2-[[[(2S)-butan-2-yl]-(4-butylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 7301651
N-butan-2-yl-2-[[butan-2-yl-(2,4-dimethoxybenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 5128901
N-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834723
methyl 2-[[cyclobutanecarbonyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 810732
N-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42834911
N-[(2S)-butan-2-yl]-2-[[(2,5-dimethylphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93155463

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide (CID 3654857) is N-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide is CCC(C)NC(=O)c1coc(CN(C(=O)C2CC2)C(C)CC)n1.
What is the InChIKey of N-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JCXMDJFTBCLLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-5-11(3)18-16(21)14-10-23-15(19-14)9-20(12(4)6-2)17(22)13-7-8-13/h10-13H,5-9H2,1-4H3,(H,18,21).
What are the key properties of N-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
N-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3654857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).