3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione

C23H18ClN7O4 — CID 118065327

IUPAC3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione
SMILESCn1c(=O)oc2cc(-n3cc(-c4nn[nH]n4)c(=O)n(C4CCCc5c(Cl)cccc54)c3=O)ccc21
InChIInChI=1S/C23H18ClN7O4/c1-29-18-9-8-12(10-19(18)35-23(29)34)30-11-15(20-25-27-28-26-20)21(32)31(22(30)33)17-7-3-4-13-14(17)5-2-6-16(13)24/h2,5-6,8-11,17H,3-4,7H2,1H3,(H,25,26,27,28)
InChIKeyLTCSKBAZAKHSJC-UHFFFAOYSA-N
MW491.90 g/mol
LogP2.20
Rot. Bonds3

About 3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione

3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione (PubChem CID 118065327) has the molecular formula C23H18ClN7O4 and a molecular weight of 491.90 g/mol. Its IUPAC name is 3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione
PubChem CID118065327
Molecular FormulaC23H18ClN7O4
Molecular Weight491.90 g/mol
Exact Mass491.11
IUPAC Name3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione
SMILESCn1c(=O)oc2cc(-n3cc(-c4nn[nH]n4)c(=O)n(C4CCCc5c(Cl)cccc54)c3=O)ccc21
InChIInChI=1S/C23H18ClN7O4/c1-29-18-9-8-12(10-19(18)35-23(29)34)30-11-15(20-25-27-28-26-20)21(32)31(22(30)33)17-7-3-4-13-14(17)5-2-6-16(13)24/h2,5-6,8-11,17H,3-4,7H2,1H3,(H,25,26,27,28)
InChIKeyLTCSKBAZAKHSJC-UHFFFAOYSA-N
XLogP2.20
TPSA133.60 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.90
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione?
The IUPAC name of 3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione (CID 118065327) is 3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione is Cn1c(=O)oc2cc(-n3cc(-c4nn[nH]n4)c(=O)n(C4CCCc5c(Cl)cccc54)c3=O)ccc21.
What is the InChIKey of 3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione?
The InChIKey is LTCSKBAZAKHSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN7O4/c1-29-18-9-8-12(10-19(18)35-23(29)34)30-11-15(20-25-27-28-26-20)21(32)31(22(30)33)17-7-3-4-13-14(17)5-2-6-16(13)24/h2,5-6,8-11,17H,3-4,7H2,1H3,(H,25,26,27,28).
What are the key properties of 3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione?
3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione has a molecular weight of 491.90 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 118065327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).