1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine

C13H20N4OS — CID 91837486

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine
SMILESCc1noc(C)c1CN(C)Cc1snnc1C(C)C
InChIInChI=1S/C13H20N4OS/c1-8(2)13-12(19-16-14-13)7-17(5)6-11-9(3)15-18-10(11)4/h8H,6-7H2,1-5H3
InChIKeyBORPQVHYJDLBDY-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.90
Rot. Bonds5

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine (PubChem CID 91837486) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine
PubChem CID91837486
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine
SMILESCc1noc(C)c1CN(C)Cc1snnc1C(C)C
InChIInChI=1S/C13H20N4OS/c1-8(2)13-12(19-16-14-13)7-17(5)6-11-9(3)15-18-10(11)4/h8H,6-7H2,1-5H3
InChIKeyBORPQVHYJDLBDY-UHFFFAOYSA-N
XLogP2.90
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine
CID 82398747
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 86984051
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60963501
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 171328140
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 47006556
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylmethanamine
CID 77092521
(2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
CID 119331106
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide
CID 61164745
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 91832326
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide
CID 91829294
N-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 118787766

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine (CID 91837486) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine is Cc1noc(C)c1CN(C)Cc1snnc1C(C)C.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine?
The InChIKey is BORPQVHYJDLBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-8(2)13-12(19-16-14-13)7-17(5)6-11-9(3)15-18-10(11)4/h8H,6-7H2,1-5H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine has a molecular weight of 280.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 91837486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).