7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine

C17H19N5O4S — CID 72914989

IUPAC7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ncnc4oc(C)nc34)CC2)cc1
InChIInChI=1S/C17H19N5O4S/c1-12-20-15-16(18-11-19-17(15)26-12)21-7-9-22(10-8-21)27(23,24)14-5-3-13(25-2)4-6-14/h3-6,11H,7-10H2,1-2H3
InChIKeyDQOJQWFANIEUMA-UHFFFAOYSA-N
MW389.44 g/mol
LogP1.45
Rot. Bonds4

About 7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine

7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine (PubChem CID 72914989) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is 7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine
PubChem CID72914989
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC Name7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ncnc4oc(C)nc34)CC2)cc1
InChIInChI=1S/C17H19N5O4S/c1-12-20-15-16(18-11-19-17(15)26-12)21-7-9-22(10-8-21)27(23,24)14-5-3-13(25-2)4-6-14/h3-6,11H,7-10H2,1-2H3
InChIKeyDQOJQWFANIEUMA-UHFFFAOYSA-N
XLogP1.45
TPSA101.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 31538355
7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 26844862
5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline
CID 71622340
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 90517128
1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 798545
1-(4-methoxyphenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine
CID 9111511
4-(4,5-dimethylimidazol-1-yl)-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56921466
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072478
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
5-fluoro-4-methoxy-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 137338887

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine (CID 72914989) is 7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine is COc1ccc(S(=O)(=O)N2CCN(c3ncnc4oc(C)nc34)CC2)cc1.
What is the InChIKey of 7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine?
The InChIKey is DQOJQWFANIEUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-12-20-15-16(18-11-19-17(15)26-12)21-7-9-22(10-8-21)27(23,24)14-5-3-13(25-2)4-6-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine?
7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine has a molecular weight of 389.44 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 72914989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).