3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide

C17H15N5O3S — CID 59787083

IUPAC3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(=S)Nc1cccc(Oc2ncccn2)c1
InChIInChI=1S/C17H15N5O3S/c1-10-14(11(2)25-22-10)15(23)21-17(26)20-12-5-3-6-13(9-12)24-16-18-7-4-8-19-16/h3-9H,1-2H3,(H2,20,21,23,26)
InChIKeyJIWMMWQPFIKKAJ-UHFFFAOYSA-N
MW369.41 g/mol
LogP3.00
Rot. Bonds4

About 3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide (PubChem CID 59787083) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide
PubChem CID59787083
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC Name3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(=S)Nc1cccc(Oc2ncccn2)c1
InChIInChI=1S/C17H15N5O3S/c1-10-14(11(2)25-22-10)15(23)21-17(26)20-12-5-3-6-13(9-12)24-16-18-7-4-8-19-16/h3-9H,1-2H3,(H2,20,21,23,26)
InChIKeyJIWMMWQPFIKKAJ-UHFFFAOYSA-N
XLogP3.00
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide;ethane
CID 142899413
3,5-dimethyl-N-[(3-pyridin-3-ylphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide
CID 89214030
2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide
CID 51090175
2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 954556
cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 94096800
N-[(3-methoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 801924
4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262452
N-[[3-(3-methylphenoxy)phenyl]carbamothioyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 89098843
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 38324737
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-phenoxyphenyl)acetamide
CID 78794827
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)thiourea
CID 5249645

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide (CID 59787083) is 3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC(=S)Nc1cccc(Oc2ncccn2)c1.
What is the InChIKey of 3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide?
The InChIKey is JIWMMWQPFIKKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-10-14(11(2)25-22-10)15(23)21-17(26)20-12-5-3-6-13(9-12)24-16-18-7-4-8-19-16/h3-9H,1-2H3,(H2,20,21,23,26).
What are the key properties of 3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 59787083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).