1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine

C17H21N3O2S — CID 56753211

IUPAC1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine
SMILESCCc1cc(CN(C)Cc2nc(-c3sccc3C)oc2C)on1
InChIInChI=1S/C17H21N3O2S/c1-5-13-8-14(22-19-13)9-20(4)10-15-12(3)21-17(18-15)16-11(2)6-7-23-16/h6-8H,5,9-10H2,1-4H3
InChIKeySXXXGCWFYPYSSI-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.20
Rot. Bonds6

About 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine

1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine (PubChem CID 56753211) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine
PubChem CID56753211
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine
SMILESCCc1cc(CN(C)Cc2nc(-c3sccc3C)oc2C)on1
InChIInChI=1S/C17H21N3O2S/c1-5-13-8-14(22-19-13)9-20(4)10-15-12(3)21-17(18-15)16-11(2)6-7-23-16/h6-8H,5,9-10H2,1-4H3
InChIKeySXXXGCWFYPYSSI-UHFFFAOYSA-N
XLogP4.20
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,6S)-2,6-dimethyl-4-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}morpholine
CID 16188352
2-[[5-Methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methylsulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 5309315
(Dicyclopropylmethyl)methyl{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}amine
CID 16188691
4-{[2-(4-Fluorophenyl)pyrrolidin-1-yl]methyl}-5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazole
CID 16187797
1-{[5-Methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16188686
(3S)-1,3-dimethyl-4-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}piperazin-2-one
CID 16191376
2-({[5-methyl-2-(3-methylthien-2-yl)-1,3-oxazol-4-yl]methyl}thio)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 3238798
4-{[2-(3-Methoxyphenyl)pyrrolidin-1-yl]methyl}-5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazole
CID 16188555
N-methyl-1-[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 56742055
1-(5-isopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-{[5-methyl-2-(3-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}methanamine
CID 56759213
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]methanamine
CID 71877466
N-methyl-1-(3-methylisoxazol-5-yl)-N-({5-methyl-2-[4-(methylthio)phenyl]-1,3-oxazol-4-yl}methyl)methanamine
CID 70771296

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine (CID 56753211) is 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine is CCc1cc(CN(C)Cc2nc(-c3sccc3C)oc2C)on1.
What is the InChIKey of 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine?
The InChIKey is SXXXGCWFYPYSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-5-13-8-14(22-19-13)9-20(4)10-15-12(3)21-17(18-15)16-11(2)6-7-23-16/h6-8H,5,9-10H2,1-4H3.
What are the key properties of 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine?
1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine has a molecular weight of 331.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2-oxazol-5-yl)-N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]methanamine is sourced from PubChem (CID 56753211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).