N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide

C19H17N5O3S — CID 146220581

IUPACN-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide
SMILESCOCc1ncc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)no2)s1
InChIInChI=1S/C19H17N5O3S/c1-26-12-18-20-9-17(28-18)16-7-15(23-27-16)19(25)22-14-8-21-24(11-14)10-13-5-3-2-4-6-13/h2-9,11H,10,12H2,1H3,(H,22,25)
InChIKeyJWUPYMWDGFQZOR-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.44
Rot. Bonds7

About N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide (PubChem CID 146220581) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide
PubChem CID146220581
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide
SMILESCOCc1ncc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)no2)s1
InChIInChI=1S/C19H17N5O3S/c1-26-12-18-20-9-17(28-18)16-7-15(23-27-16)19(25)22-14-8-21-24(11-14)10-13-5-3-2-4-6-13/h2-9,11H,10,12H2,1H3,(H,22,25)
InChIKeyJWUPYMWDGFQZOR-UHFFFAOYSA-N
XLogP3.44
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-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-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3-thiazol-5-yl)-1,2-oxazole-3-carboxamide
CID 146220519
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-5-thien-2-ylisoxazole-3-carboxamide
CID 3238351
N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-5-thien-2-ylisoxazole-3-carboxamide
CID 3239053
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 146229972
N-(1-benzylpyrazol-4-yl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide
CID 146220490
N-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide
CID 146220522
N-(1-benzylpyrazol-4-yl)-5-(1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 146220651
N-(1-benzylpyrazol-4-yl)-5-(1,3-thiazol-5-yl)-1,2-oxazole-3-carboxamide
CID 146220688
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 146229698
N-(1-benzylpyrazol-4-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 146220638
N-(1-benzylpyrazol-4-yl)-5-(1,2-thiazol-5-yl)-1,2-oxazole-3-carboxamide
CID 156596103
5-methyl-3-({3-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazol-1-yl}methyl)isoxazole
CID 29023135

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide (CID 146220581) is N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide is COCc1ncc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)no2)s1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is JWUPYMWDGFQZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-26-12-18-20-9-17(28-18)16-7-15(23-27-16)19(25)22-14-8-21-24(11-14)10-13-5-3-2-4-6-13/h2-9,11H,10,12H2,1H3,(H,22,25).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).