(3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine

C22H25N3O3 — CID 110245589

IUPAC(3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine
SMILESCc1cc(C[C@@H]2COC[C@H]2NCc2ccccc2OCc2ccccn2)on1
InChIInChI=1S/C22H25N3O3/c1-16-10-20(28-25-16)11-18-13-26-15-21(18)24-12-17-6-2-3-8-22(17)27-14-19-7-4-5-9-23-19/h2-10,18,21,24H,11-15H2,1H3/t18-,21-/m1/s1
InChIKeyRFESLLMRVBBXSE-WIYYLYMNSA-N
MW379.46 g/mol
LogP3.30
Rot. Bonds8

About (3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine

(3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine (PubChem CID 110245589) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine
PubChem CID110245589
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine
SMILESCc1cc(C[C@@H]2COC[C@H]2NCc2ccccc2OCc2ccccn2)on1
InChIInChI=1S/C22H25N3O3/c1-16-10-20(28-25-16)11-18-13-26-15-21(18)24-12-17-6-2-3-8-22(17)27-14-19-7-4-5-9-23-19/h2-10,18,21,24H,11-15H2,1H3/t18-,21-/m1/s1
InChIKeyRFESLLMRVBBXSE-WIYYLYMNSA-N
XLogP3.30
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;(3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)oxolan-3-amine
CID 171670665
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-quinazolin-4-yloxyacetamide
CID 72865264
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
1-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazole-2-carboxamide
CID 72900836
(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine
CID 139599729
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide
CID 72938051
5,6-dimethyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 163306620
(3S,4S)-N-[(3,5-dimethoxyphenyl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 127021267
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 72858551
2-[2-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 134705658
formic acid;(3R,4R)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 154914372
4-(2,6-dimethyl-3-pyridinyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]pyrimidin-2-amine
CID 56877043

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine?
The IUPAC name of (3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine (CID 110245589) is (3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine?
The canonical SMILES for (3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine is Cc1cc(C[C@@H]2COC[C@H]2NCc2ccccc2OCc2ccccn2)on1.
What is the InChIKey of (3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine?
The InChIKey is RFESLLMRVBBXSE-WIYYLYMNSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-10-20(28-25-16)11-18-13-26-15-21(18)24-12-17-6-2-3-8-22(17)27-14-19-7-4-5-9-23-19/h2-10,18,21,24H,11-15H2,1H3/t18-,21-/m1/s1.
What are the key properties of (3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine?
(3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine has a molecular weight of 379.46 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]oxolan-3-amine is sourced from PubChem (CID 110245589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).