N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide

C20H32N4O4 — CID 59143333

IUPACN-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide
SMILESCCC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)on1
InChIInChI=1S/C20H32N4O4/c1-4-20(2,3)16-14-17(28-22-16)21-19(26)24-9-5-8-23(10-11-24)18(25)15-6-12-27-13-7-15/h14-15H,4-13H2,1-3H3,(H,21,26)
InChIKeyBMQYXJLRFRDRHG-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.86
Rot. Bonds4

About N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide

N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide (PubChem CID 59143333) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide
PubChem CID59143333
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC NameN-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide
SMILESCCC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)on1
InChIInChI=1S/C20H32N4O4/c1-4-20(2,3)16-14-17(28-22-16)21-19(26)24-9-5-8-23(10-11-24)18(25)15-6-12-27-13-7-15/h14-15H,4-13H2,1-3H3,(H,21,26)
InChIKeyBMQYXJLRFRDRHG-UHFFFAOYSA-N
XLogP2.86
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

4-(oxane-4-carbonyl)-N-(5-phenyl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 54581476
4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 59143398
1-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-N-(oxan-4-yl)-1,4-diazepane-1,4-dicarboxamide
CID 54583927
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(4-methoxycyclohexanecarbonyl)-1,4-diazepane-1-carboxamide
CID 59143438
N-(3-methyl-1,2-oxazol-5-yl)morpholine-4-carboxamide
CID 115603435
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 45256132
tert-butyl 4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylate;ethane
CID 143680712
4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493390
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 51339916
4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide
CID 119034514
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 59253303
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 54585837

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide (CID 59143333) is N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide is CCC(C)(C)c1cc(NC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)on1.
What is the InChIKey of N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide?
The InChIKey is BMQYXJLRFRDRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-4-20(2,3)16-14-17(28-22-16)21-19(26)24-9-5-8-23(10-11-24)18(25)15-6-12-27-13-7-15/h14-15H,4-13H2,1-3H3,(H,21,26).
What are the key properties of N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide?
N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 59143333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).