6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione

C15H21N5O5 — CID 137343940

IUPAC6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=C(CN1CCOC1=O)N1CCCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C15H21N5O5/c21-12-8-11(16-14(23)17-12)9-18-2-1-3-19(5-4-18)13(22)10-20-6-7-25-15(20)24/h8H,1-7,9-10H2,(H2,16,17,21,23)
InChIKeyRHXRWUOIWDHULM-UHFFFAOYSA-N
MW351.36 g/mol
LogP-1.45
Rot. Bonds4

About 6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione

6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 137343940) has the molecular formula C15H21N5O5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID137343940
Molecular FormulaC15H21N5O5
Molecular Weight351.36 g/mol
Exact Mass351.15
IUPAC Name6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=C(CN1CCOC1=O)N1CCCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C15H21N5O5/c21-12-8-11(16-14(23)17-12)9-18-2-1-3-19(5-4-18)13(22)10-20-6-7-25-15(20)24/h8H,1-7,9-10H2,(H2,16,17,21,23)
InChIKeyRHXRWUOIWDHULM-UHFFFAOYSA-N
XLogP-1.45
TPSA118.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

3-[2-[4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 138806611
3-[2-[4-(2-methylsulfanylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 137336385
3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70770021
3-[2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 137339191
3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 62023165
3-[2-(azocan-1-yl)-2-oxoethyl]-1,3-oxazinan-2-one
CID 71974035
3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 122334428
6-[(4-benzylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 10661952
3-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 134712083
3-[2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122343245
3-[2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 45248689
3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 24793036

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione (CID 137343940) is 6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione is O=C(CN1CCOC1=O)N1CCCN(Cc2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is RHXRWUOIWDHULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O5/c21-12-8-11(16-14(23)17-12)9-18-2-1-3-19(5-4-18)13(22)10-20-6-7-25-15(20)24/h8H,1-7,9-10H2,(H2,16,17,21,23).
What are the key properties of 6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione?
6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 351.36 g/mol, XLogP of -1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-1,4-diazepan-1-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 137343940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).