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

C18H15N5O2S — CID 156596115

IUPACN-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cnc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)no2)s1
InChIInChI=1S/C18H15N5O2S/c1-12-8-19-18(26-12)16-7-15(22-25-16)17(24)21-14-9-20-23(11-14)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,21,24)
InChIKeyHJQKGJWNFHDQAN-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.60
Rot. Bonds5

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

N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 156596115) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID156596115
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cnc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)no2)s1
InChIInChI=1S/C18H15N5O2S/c1-12-8-19-18(26-12)16-7-15(22-25-16)17(24)21-14-9-20-23(11-14)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,21,24)
InChIKeyHJQKGJWNFHDQAN-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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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 156596115) is N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide is Cc1cnc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)no2)s1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is HJQKGJWNFHDQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-12-8-19-18(26-12)16-7-15(22-25-16)17(24)21-14-9-20-23(11-14)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,21,24).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-(5-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-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 156596115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).