5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide

C17H15N3O2S — CID 122286600

IUPAC5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)cs1
InChIInChI=1S/C17H15N3O2S/c1-10-18-15(9-23-10)11-4-6-13(7-5-11)19-17(21)14-8-16(22-20-14)12-2-3-12/h4-9,12H,2-3H2,1H3,(H,19,21)
InChIKeyVHKJNQNLIGACJY-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.24
Rot. Bonds4

About 5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 122286600) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID122286600
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)cs1
InChIInChI=1S/C17H15N3O2S/c1-10-18-15(9-23-10)11-4-6-13(7-5-11)19-17(21)14-8-16(22-20-14)12-2-3-12/h4-9,12H,2-3H2,1H3,(H,19,21)
InChIKeyVHKJNQNLIGACJY-UHFFFAOYSA-N
XLogP4.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24532559
5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 55638814
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazine-2-carboxamide
CID 18090488
5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619296
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8533850
3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 8534241
5-cyclopropyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide
CID 122325758
5-cyclopropyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,2-oxazole-3-carboxamide
CID 146323310
5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 34140596
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide (CID 122286600) is 5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide is Cc1nc(-c2ccc(NC(=O)c3cc(C4CC4)on3)cc2)cs1.
What is the InChIKey of 5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VHKJNQNLIGACJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-10-18-15(9-23-10)11-4-6-13(7-5-11)19-17(21)14-8-16(22-20-14)12-2-3-12/h4-9,12H,2-3H2,1H3,(H,19,21).
What are the key properties of 5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122286600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).