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

C18H28N2O3 — CID 56774112

IUPACN-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclohexanecarboxamide
SMILESCC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NC(=O)C1CCCCC1
InChIInChI=1S/C18H28N2O3/c1-18(2)13(8-14-10-15(11-21)23-20-14)9-16(18)19-17(22)12-6-4-3-5-7-12/h10,12-13,16,21H,3-9,11H2,1-2H3,(H,19,22)/t13-,16+/m1/s1
InChIKeyLLMBUOMLNUMYJN-CJNGLKHVSA-N
MW320.43 g/mol
LogP2.82
Rot. Bonds5

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

N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclohexanecarboxamide (PubChem CID 56774112) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclohexanecarboxamide
PubChem CID56774112
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclohexanecarboxamide
SMILESCC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NC(=O)C1CCCCC1
InChIInChI=1S/C18H28N2O3/c1-18(2)13(8-14-10-15(11-21)23-20-14)9-16(18)19-17(22)12-6-4-3-5-7-12/h10,12-13,16,21H,3-9,11H2,1-2H3,(H,19,22)/t13-,16+/m1/s1
InChIKeyLLMBUOMLNUMYJN-CJNGLKHVSA-N
XLogP2.82
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,3S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774179
N-[(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774136
[3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol
CID 162811147
[5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol
CID 56774301
1-[(1S,3S)-2,2-dimethyl-3-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]-3-propan-2-ylurea
CID 56774213
[3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol
CID 56774130
methyl 2-[[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]amino]-2-oxoacetate
CID 56774343
N-[(1S,3S)-2,2-dimethyl-3-[[5-[(N-methylanilino)methyl]-1,2-oxazol-3-yl]methyl]cyclobutyl]-4-methoxybenzamide
CID 56774375
trans-(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 56774093
N-[(1S,3S)-2,2-dimethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclobutyl]-2-methylpropanamide
CID 56774321
trans-(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-N-cyclobutyl-2,2-dimethylcyclobutan-1-amine
CID 56774137
N-[(1S,3S)-2,2-dimethyl-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]cyclobutyl]oxan-4-amine
CID 56774162

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclohexanecarboxamide (CID 56774112) is N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclohexanecarboxamide is CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NC(=O)C1CCCCC1.
What is the InChIKey of N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclohexanecarboxamide?
The InChIKey is LLMBUOMLNUMYJN-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2)13(8-14-10-15(11-21)23-20-14)9-16(18)19-17(22)12-6-4-3-5-7-12/h10,12-13,16,21H,3-9,11H2,1-2H3,(H,19,22)/t13-,16+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclohexanecarboxamide?
N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclohexanecarboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclohexanecarboxamide is sourced from PubChem (CID 56774112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).