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

C18H18N4O3S — CID 1225690

IUPACN-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1nc(NC(=O)c2c(-c3ccccc3)noc2C)sc1C(=O)N(C)C
InChIInChI=1S/C18H18N4O3S/c1-10-15(17(24)22(3)4)26-18(19-10)20-16(23)13-11(2)25-21-14(13)12-8-6-5-7-9-12/h5-9H,1-4H3,(H,19,20,23)
InChIKeyCORBNHBGIFKRRI-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.37
Rot. Bonds4

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

N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 1225690) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID1225690
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1nc(NC(=O)c2c(-c3ccccc3)noc2C)sc1C(=O)N(C)C
InChIInChI=1S/C18H18N4O3S/c1-10-15(17(24)22(3)4)26-18(19-10)20-16(23)13-11(2)25-21-14(13)12-8-6-5-7-9-12/h5-9H,1-4H3,(H,19,20,23)
InChIKeyCORBNHBGIFKRRI-UHFFFAOYSA-N
XLogP3.37
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 1225690) is N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1nc(NC(=O)c2c(-c3ccccc3)noc2C)sc1C(=O)N(C)C.
What is the InChIKey of N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is CORBNHBGIFKRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-10-15(17(24)22(3)4)26-18(19-10)20-16(23)13-11(2)25-21-14(13)12-8-6-5-7-9-12/h5-9H,1-4H3,(H,19,20,23).
What are the key properties of N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1225690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).