5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

C20H18N4OS — CID 53053280

IUPAC5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nc(Nc2cccc(SC)c2)c2onc(-c3ccccc3)c2n1
InChIInChI=1S/C20H18N4OS/c1-3-16-22-18-17(13-8-5-4-6-9-13)24-25-19(18)20(23-16)21-14-10-7-11-15(12-14)26-2/h4-12H,3H2,1-2H3,(H,21,22,23)
InChIKeyDUZAEBBVKAWVQV-UHFFFAOYSA-N
MW362.46 g/mol
LogP5.31
Rot. Bonds5

About 5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 53053280) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID53053280
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nc(Nc2cccc(SC)c2)c2onc(-c3ccccc3)c2n1
InChIInChI=1S/C20H18N4OS/c1-3-16-22-18-17(13-8-5-4-6-9-13)24-25-19(18)20(23-16)21-14-10-7-11-15(12-14)26-2/h4-12H,3H2,1-2H3,(H,21,22,23)
InChIKeyDUZAEBBVKAWVQV-UHFFFAOYSA-N
XLogP5.31
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053276
N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053136
5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053291
2-methylsulfanyl-4-(3-methylsulfanylanilino)-6-phenylpyrimidine-5-carbonitrile
CID 38997890
3-phenyl-N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053132
N-[(4-chlorophenyl)methyl]-5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053235
3-methylsulfanyl-N-[(5-phenyl-2H-triazol-4-yl)methyl]aniline
CID 63644013
6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
CID 79020854
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-5-amine
CID 20912166
2-(3-methylsulfanylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63528502
5-chloro-2-N-ethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 80767890
6-N,2,5-trimethyl-4-N-(3-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 80769102

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (CID 53053280) is 5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is CCc1nc(Nc2cccc(SC)c2)c2onc(-c3ccccc3)c2n1.
What is the InChIKey of 5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is DUZAEBBVKAWVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-3-16-22-18-17(13-8-5-4-6-9-13)24-25-19(18)20(23-16)21-14-10-7-11-15(12-14)26-2/h4-12H,3H2,1-2H3,(H,21,22,23).
What are the key properties of 5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 362.46 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 53053280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).