N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide

C19H32N2O2 — CID 56774071

IUPACN-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide
SMILESCCCCc1cc(C[C@@H]2C[C@H](NC(=O)C(C)(C)C)C2(C)C)no1
InChIInChI=1S/C19H32N2O2/c1-7-8-9-15-12-14(21-23-15)10-13-11-16(19(13,5)6)20-17(22)18(2,3)4/h12-13,16H,7-11H2,1-6H3,(H,20,22)/t13-,16+/m1/s1
InChIKeyNMXIBISYYQMGET-CJNGLKHVSA-N
MW320.48 g/mol
LogP4.14
Rot. Bonds6

About N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide

N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide (PubChem CID 56774071) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide
PubChem CID56774071
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide
SMILESCCCCc1cc(C[C@@H]2C[C@H](NC(=O)C(C)(C)C)C2(C)C)no1
InChIInChI=1S/C19H32N2O2/c1-7-8-9-15-12-14(21-23-15)10-13-11-16(19(13,5)6)20-17(22)18(2,3)4/h12-13,16H,7-11H2,1-6H3,(H,20,22)/t13-,16+/m1/s1
InChIKeyNMXIBISYYQMGET-CJNGLKHVSA-N
XLogP4.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide
CID 40777334
N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-3-fluorobenzamide
CID 56774067
N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774179
US11802111, Example 382
CID 164710405
5-[2-(2-Azabicyclo[2.1.1]hexan-1-yl)ethyl]-3-methyl-1,2-oxazole
CID 25140218
N-tert-butyl-2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 25313431
2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 26742891
2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N,N-diethylacetamide
CID 26742967
2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 26742995
2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 40777345
N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774030
N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
CID 56774050

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide (CID 56774071) is N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide is CCCCc1cc(C[C@@H]2C[C@H](NC(=O)C(C)(C)C)C2(C)C)no1.
What is the InChIKey of N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide?
The InChIKey is NMXIBISYYQMGET-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-7-8-9-15-12-14(21-23-15)10-13-11-16(19(13,5)6)20-17(22)18(2,3)4/h12-13,16H,7-11H2,1-6H3,(H,20,22)/t13-,16+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide?
N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide has a molecular weight of 320.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 56774071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).