[3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol

C17H23N3O2 — CID 56774130

IUPAC[3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol
SMILESCC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NCc1cccnc1
InChIInChI=1S/C17H23N3O2/c1-17(2)13(6-14-8-15(11-21)22-20-14)7-16(17)19-10-12-4-3-5-18-9-12/h3-5,8-9,13,16,19,21H,6-7,10-11H2,1-2H3/t13-,16+/m1/s1
InChIKeyRGRMEXCMPHKLMM-CJNGLKHVSA-N
MW301.39 g/mol
LogP2.31
Rot. Bonds6

About [3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol

[3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol (PubChem CID 56774130) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol
PubChem CID56774130
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol
SMILESCC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NCc1cccnc1
InChIInChI=1S/C17H23N3O2/c1-17(2)13(6-14-8-15(11-21)22-20-14)7-16(17)19-10-12-4-3-5-18-9-12/h3-5,8-9,13,16,19,21H,6-7,10-11H2,1-2H3/t13-,16+/m1/s1
InChIKeyRGRMEXCMPHKLMM-CJNGLKHVSA-N
XLogP2.31
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol with MolForge

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Related Compounds

[3-[[3-(dimethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]methanol
CID 162811147
1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222733
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 162796753
7-methoxy-2,2-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydrochromen-4-amine
CID 82461942
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyridin-3-ylacetamide
CID 91770070
5,5-dimethyl-N-(pyridin-3-ylmethyl)thian-3-amine
CID 79955058
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 46949495
5-[(2,6-dimethylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 25275496
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190

Frequently Asked Questions

What is the IUPAC name of [3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol (CID 56774130) is [3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol is CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NCc1cccnc1.
What is the InChIKey of [3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol?
The InChIKey is RGRMEXCMPHKLMM-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2)13(6-14-8-15(11-21)22-20-14)7-16(17)19-10-12-4-3-5-18-9-12/h3-5,8-9,13,16,19,21H,6-7,10-11H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of [3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol?
[3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol has a molecular weight of 301.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(1S,3S)-2,2-dimethyl-3-(pyridin-3-ylmethylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 56774130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).