(1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine

C17H18FN3OS — CID 42287529

IUPAC(1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
SMILESCc1oc(-c2ccc(F)cc2)nc1CN(C)[C@@H](C)c1nccs1
InChIInChI=1S/C17H18FN3OS/c1-11(17-19-8-9-23-17)21(3)10-15-12(2)22-16(20-15)13-4-6-14(18)7-5-13/h4-9,11H,10H2,1-3H3/t11-/m0/s1
InChIKeyOLKZCNWBQSKZAQ-NSHDSACASA-N
MW331.42 g/mol
LogP4.44
Rot. Bonds5

About (1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine

(1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 42287529) has the molecular formula C17H18FN3OS and a molecular weight of 331.42 g/mol. Its IUPAC name is (1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID42287529
Molecular FormulaC17H18FN3OS
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC Name(1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
SMILESCc1oc(-c2ccc(F)cc2)nc1CN(C)[C@@H](C)c1nccs1
InChIInChI=1S/C17H18FN3OS/c1-11(17-19-8-9-23-17)21(3)10-15-12(2)22-16(20-15)13-4-6-14(18)7-5-13/h4-9,11H,10H2,1-3H3/t11-/m0/s1
InChIKeyOLKZCNWBQSKZAQ-NSHDSACASA-N
XLogP4.44
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45174340
(1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 25491748
1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
CID 28957160
(1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 42244928
N-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 45176851
(1S)-N-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-thiophen-2-ylethanamine
CID 42379215
(1R)-N-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 25453513
(1R)-N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 25298863
(1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine
CID 125168599
1-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 56860414
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 56854486
N-methyl-N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 45227041

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of (1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine (CID 42287529) is (1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine is Cc1oc(-c2ccc(F)cc2)nc1CN(C)[C@@H](C)c1nccs1.
What is the InChIKey of (1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is OLKZCNWBQSKZAQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H18FN3OS/c1-11(17-19-8-9-23-17)21(3)10-15-12(2)22-16(20-15)13-4-6-14(18)7-5-13/h4-9,11H,10H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
(1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 331.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 42287529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).