(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine

C18H24N2O2 — CID 97334715

IUPAC(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine
SMILESCc1nc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)oc1C
InChIInChI=1S/C18H24N2O2/c1-13-14(2)22-18(20-13)11-19-17(10-15-8-9-21-12-15)16-6-4-3-5-7-16/h3-7,15,17,19H,8-12H2,1-2H3/t15-,17+/m1/s1
InChIKeySVEOUDOGLXPINF-WBVHZDCISA-N
MW300.40 g/mol
LogP3.55
Rot. Bonds6

About (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine

(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine (PubChem CID 97334715) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine
PubChem CID97334715
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine
SMILESCc1nc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)oc1C
InChIInChI=1S/C18H24N2O2/c1-13-14(2)22-18(20-13)11-19-17(10-15-8-9-21-12-15)16-6-4-3-5-7-16/h3-7,15,17,19H,8-12H2,1-2H3/t15-,17+/m1/s1
InChIKeySVEOUDOGLXPINF-WBVHZDCISA-N
XLogP3.55
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine with MolForge

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]urea
CID 97240996
(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 97241292
4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 97241141
N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
CID 60920561
N-[2-(oxolan-3-yl)-1-phenylethyl]-1,3-benzoxazol-2-amine
CID 133413518
N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103987178
N-ethyl-1-naphthalen-2-yl-2-(oxolan-3-yl)ethanamine
CID 103987345
1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987271
[2-(oxolan-3-yl)-1-(4-phenylphenyl)ethyl]hydrazine
CID 105265974
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-1-amine
CID 106370255
1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol
CID 109395452
N-[2-(oxolan-3-yl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 103987493

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine (CID 97334715) is (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine is Cc1nc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)oc1C.
What is the InChIKey of (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine?
The InChIKey is SVEOUDOGLXPINF-WBVHZDCISA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-14(2)22-18(20-13)11-19-17(10-15-8-9-21-12-15)16-6-4-3-5-7-16/h3-7,15,17,19H,8-12H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine?
(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine has a molecular weight of 300.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine is sourced from PubChem (CID 97334715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).