5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione

C18H18N4O4 — CID 77092250

IUPAC5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCCC(c3nc4ccccc4o3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C18H18N4O4/c1-21-10-12(15(23)20-18(21)25)17(24)22-8-4-5-11(9-22)16-19-13-6-2-3-7-14(13)26-16/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,20,23,25)
InChIKeyPFSPYMYNCBMUST-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.23
Rot. Bonds2

About 5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione

5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione (PubChem CID 77092250) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
PubChem CID77092250
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCCC(c3nc4ccccc4o3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C18H18N4O4/c1-21-10-12(15(23)20-18(21)25)17(24)22-8-4-5-11(9-22)16-19-13-6-2-3-7-14(13)26-16/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,20,23,25)
InChIKeyPFSPYMYNCBMUST-UHFFFAOYSA-N
XLogP1.23
TPSA101.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 99937856
[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 38317016
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-hydroxy-3,4-dimethylphenyl)methanone
CID 87016631
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 51119873
[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 34729954
7-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 55719034
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 47026887
1-[5-[(3R)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 38316652
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone
CID 126818021
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone
CID 78873543
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 42957516
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 139599749

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione (CID 77092250) is 5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione is Cn1cc(C(=O)N2CCCC(c3nc4ccccc4o3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is PFSPYMYNCBMUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-21-10-12(15(23)20-18(21)25)17(24)22-8-4-5-11(9-22)16-19-13-6-2-3-7-14(13)26-16/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,20,23,25).
What are the key properties of 5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 354.37 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 77092250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).