[5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol

C19H29N3O3 — CID 56774301

IUPAC[5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol
SMILESCN(C)Cc1cc(C[C@@H]2C[C@H](NCc3ccc(CO)o3)C2(C)C)no1
InChIInChI=1S/C19H29N3O3/c1-19(2)13(7-14-9-17(25-21-14)11-22(3)4)8-18(19)20-10-15-5-6-16(12-23)24-15/h5-6,9,13,18,20,23H,7-8,10-12H2,1-4H3/t13-,18+/m1/s1
InChIKeyMSLWJMAMDBWZTH-ACJLOTCBSA-N
MW347.46 g/mol
LogP2.57
Rot. Bonds8

About [5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol

[5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol (PubChem CID 56774301) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol
PubChem CID56774301
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol
SMILESCN(C)Cc1cc(C[C@@H]2C[C@H](NCc3ccc(CO)o3)C2(C)C)no1
InChIInChI=1S/C19H29N3O3/c1-19(2)13(7-14-9-17(25-21-14)11-22(3)4)8-18(19)20-10-15-5-6-16(12-23)24-15/h5-6,9,13,18,20,23H,7-8,10-12H2,1-4H3/t13-,18+/m1/s1
InChIKeyMSLWJMAMDBWZTH-ACJLOTCBSA-N
XLogP2.57
TPSA74.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

[3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol
CID 56774130
N-[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]-4-fluorobenzenesulfonamide
CID 56774295
[3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol
CID 162811147
N-[(1S,3S)-3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclohexanecarboxamide
CID 56774112
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-[(N-methylanilino)methyl]-1,2-oxazol-3-yl]methyl]cyclobutyl]-4-methoxybenzamide
CID 56774375
N-[(1S,3S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774136
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)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
CID 56774086
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)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]cyclobutanecarboxamide
CID 56774179
N-[[3-[[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methyl]-N-methylaniline
CID 56774259

Frequently Asked Questions

What is the IUPAC name of [5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol (CID 56774301) is [5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol is CN(C)Cc1cc(C[C@@H]2C[C@H](NCc3ccc(CO)o3)C2(C)C)no1.
What is the InChIKey of [5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol?
The InChIKey is MSLWJMAMDBWZTH-ACJLOTCBSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-19(2)13(7-14-9-17(25-21-14)11-22(3)4)8-18(19)20-10-15-5-6-16(12-23)24-15/h5-6,9,13,18,20,23H,7-8,10-12H2,1-4H3/t13-,18+/m1/s1.
What are the key properties of [5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol?
[5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol has a molecular weight of 347.46 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[(1S,3S)-3-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 56774301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).