N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide

C14H19N3O2S — CID 72941153

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N(C)Cc2cc(CC)no2)cs1
InChIInChI=1S/C14H19N3O2S/c1-4-6-13-15-12(9-20-13)14(18)17(3)8-11-7-10(5-2)16-19-11/h7,9H,4-6,8H2,1-3H3
InChIKeyBKCQMMYELAFAFU-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.92
Rot. Bonds6

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 72941153) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID72941153
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N(C)Cc2cc(CC)no2)cs1
InChIInChI=1S/C14H19N3O2S/c1-4-6-13-15-12(9-20-13)14(18)17(3)8-11-7-10(5-2)16-19-11/h7,9H,4-6,8H2,1-3H3
InChIKeyBKCQMMYELAFAFU-UHFFFAOYSA-N
XLogP2.92
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide (CID 72941153) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)N(C)Cc2cc(CC)no2)cs1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is BKCQMMYELAFAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-6-13-15-12(9-20-13)14(18)17(3)8-11-7-10(5-2)16-19-11/h7,9H,4-6,8H2,1-3H3.
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72941153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).