(2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine

C18H25N3O2 — CID 129475680

IUPAC(2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
SMILESCOc1ccc(C[C@H](C)N[C@H]2CCO[C@@H]2c2nccn2C)cc1
InChIInChI=1S/C18H25N3O2/c1-13(12-14-4-6-15(22-3)7-5-14)20-16-8-11-23-17(16)18-19-9-10-21(18)2/h4-7,9-10,13,16-17,20H,8,11-12H2,1-3H3/t13-,16-,17-/m0/s1
InChIKeyVNHRRZWCDDLCEO-JQFCIGGWSA-N
MW315.42 g/mol
LogP2.48
Rot. Bonds6

About (2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine

(2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine (PubChem CID 129475680) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
PubChem CID129475680
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
SMILESCOc1ccc(C[C@H](C)N[C@H]2CCO[C@@H]2c2nccn2C)cc1
InChIInChI=1S/C18H25N3O2/c1-13(12-14-4-6-15(22-3)7-5-14)20-16-8-11-23-17(16)18-19-9-10-21(18)2/h4-7,9-10,13,16-17,20H,8,11-12H2,1-3H3/t13-,16-,17-/m0/s1
InChIKeyVNHRRZWCDDLCEO-JQFCIGGWSA-N
XLogP2.48
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-(1,3-diphenylpropan-2-yl)-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 154794407
4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-2-amine
CID 167925059
(2S,3S)-N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 129476158
N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
CID 2846450
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 128986161
N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine
CID 61210662
1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 129475001
3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128969379
1-[(4-fluorophenyl)methyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 128977421
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]cyclopropanamine
CID 82262623
(2S,3S)-2-(1-methylimidazol-2-yl)-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]oxolan-3-amine
CID 128976671
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 129474958

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine (CID 129475680) is (2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine is COc1ccc(C[C@H](C)N[C@H]2CCO[C@@H]2c2nccn2C)cc1.
What is the InChIKey of (2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine?
The InChIKey is VNHRRZWCDDLCEO-JQFCIGGWSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(12-14-4-6-15(22-3)7-5-14)20-16-8-11-23-17(16)18-19-9-10-21(18)2/h4-7,9-10,13,16-17,20H,8,11-12H2,1-3H3/t13-,16-,17-/m0/s1.
What are the key properties of (2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine?
(2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine has a molecular weight of 315.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2-(1-methylimidazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 129475680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).