N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide

C15H13N3O2S — CID 38272852

IUPACN-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)/N=c2\sccn2Cc2ccccc2)on1
InChIInChI=1S/C15H13N3O2S/c1-11-9-13(20-17-11)14(19)16-15-18(7-8-21-15)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3/b16-15-
InChIKeyYJRMOHFOTSFAKP-NXVVXOECSA-N
MW299.36 g/mol
LogP2.64
Rot. Bonds3

About N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide

N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 38272852) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID38272852
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)/N=c2\sccn2Cc2ccccc2)on1
InChIInChI=1S/C15H13N3O2S/c1-11-9-13(20-17-11)14(19)16-15-18(7-8-21-15)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3/b16-15-
InChIKeyYJRMOHFOTSFAKP-NXVVXOECSA-N
XLogP2.64
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide (CID 38272852) is N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)/N=c2\sccn2Cc2ccccc2)on1.
What is the InChIKey of N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is YJRMOHFOTSFAKP-NXVVXOECSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-11-9-13(20-17-11)14(19)16-15-18(7-8-21-15)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3/b16-15-.
What are the key properties of N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide?
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 38272852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).