1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine

C16H21FN2O2 — CID 77093094

IUPAC1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine
SMILESCOc1c(F)cccc1CN(C)Cc1cc(C(C)C)on1
InChIInChI=1S/C16H21FN2O2/c1-11(2)15-8-13(18-21-15)10-19(3)9-12-6-5-7-14(17)16(12)20-4/h5-8,11H,9-10H2,1-4H3
InChIKeyLTICYBUMLXRYGS-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.58
Rot. Bonds6

About 1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine

1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine (PubChem CID 77093094) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine
PubChem CID77093094
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine
SMILESCOc1c(F)cccc1CN(C)Cc1cc(C(C)C)on1
InChIInChI=1S/C16H21FN2O2/c1-11(2)15-8-13(18-21-15)10-19(3)9-12-6-5-7-14(17)16(12)20-4/h5-8,11H,9-10H2,1-4H3
InChIKeyLTICYBUMLXRYGS-UHFFFAOYSA-N
XLogP3.58
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine with MolForge

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Related Compounds

1-(2,3-difluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 51079483
N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
CID 126550901
N-(2-methoxyethyl)-N'-methyl-N'-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]ethane-1,2-diamine
CID 113409299
(3R)-8-methoxy-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97203250
(1S)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-pyridin-2-ylpropan-1-amine
CID 124855106
methyl 2-amino-6-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]benzoate
CID 104824388
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 47030264
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117039000
2-[[(3-ethyl-1,2-oxazol-5-yl)methyl-methylamino]methyl]-6-methoxyphenol
CID 50967608
1-(2-methoxyphenyl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 171130117
2-(3-fluoro-2-methoxyphenyl)acetonitrile
CID 46737695
[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 112608092

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine (CID 77093094) is 1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine is COc1c(F)cccc1CN(C)Cc1cc(C(C)C)on1.
What is the InChIKey of 1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine?
The InChIKey is LTICYBUMLXRYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(2)15-8-13(18-21-15)10-19(3)9-12-6-5-7-14(17)16(12)20-4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine?
1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine has a molecular weight of 292.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]methanamine is sourced from PubChem (CID 77093094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).