N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide

C14H19N3O2S — CID 91839447

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide
SMILESCc1nc(CC(=O)N(C)Cc2c(C)noc2C)c(C)s1
InChIInChI=1S/C14H19N3O2S/c1-8-12(9(2)19-16-8)7-17(5)14(18)6-13-10(3)20-11(4)15-13/h6-7H2,1-5H3
InChIKeyOTLAZZSQJFFWSK-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.57
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide (PubChem CID 91839447) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide
PubChem CID91839447
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide
SMILESCc1nc(CC(=O)N(C)Cc2c(C)noc2C)c(C)s1
InChIInChI=1S/C14H19N3O2S/c1-8-12(9(2)19-16-8)7-17(5)14(18)6-13-10(3)20-11(4)15-13/h6-7H2,1-5H3
InChIKeyOTLAZZSQJFFWSK-UHFFFAOYSA-N
XLogP2.57
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfonyl-N-methylacetamide
CID 86827719
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 138994049
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199241
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60963501
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
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-methylprop-2-enamide
CID 60949726
2-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 75461115
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 70779613
2-amino-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-oxoethyl]acetamide
CID 60964166
methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate
CID 43407679

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide (CID 91839447) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide is Cc1nc(CC(=O)N(C)Cc2c(C)noc2C)c(C)s1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide?
The InChIKey is OTLAZZSQJFFWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-8-12(9(2)19-16-8)7-17(5)14(18)6-13-10(3)20-11(4)15-13/h6-7H2,1-5H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide has a molecular weight of 293.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide is sourced from PubChem (CID 91839447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).