N-(1-benzylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide

C18H15N5O2S — CID 156596116

IUPACN-(1-benzylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1csc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)no2)n1
InChIInChI=1S/C18H15N5O2S/c1-12-11-26-18(20-12)16-7-15(22-25-16)17(24)21-14-8-19-23(10-14)9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,21,24)
InChIKeySRXLPVACNGPWHQ-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.60
Rot. Bonds5

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

N-(1-benzylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 156596116) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID156596116
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1csc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)no2)n1
InChIInChI=1S/C18H15N5O2S/c1-12-11-26-18(20-12)16-7-15(22-25-16)17(24)21-14-8-19-23(10-14)9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,21,24)
InChIKeySRXLPVACNGPWHQ-UHFFFAOYSA-N
XLogP3.60
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-thien-2-ylisoxazole-3-carboxamide
CID 3239898
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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide
CID 3760997
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-(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-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrazin-2-yl-1,2-oxazole-3-carboxamide
CID 156596084
N-(1-benzylpyrazol-4-yl)-5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-1,2-oxazole-3-carboxamide
CID 146220581
N-(1-benzylpyrazol-4-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 146220638

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 156596116) is N-(1-benzylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide is Cc1csc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)no2)n1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is SRXLPVACNGPWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-12-11-26-18(20-12)16-7-15(22-25-16)17(24)21-14-8-19-23(10-14)9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,21,24).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 156596116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).