(2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone

C8H8ClN3O2 — CID 127006873

IUPAC(2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone
SMILESO=C(c1cnc(Cl)nc1)N1CCOC1
InChIInChI=1S/C8H8ClN3O2/c9-8-10-3-6(4-11-8)7(13)12-1-2-14-5-12/h3-4H,1-2,5H2
InChIKeyHSQQJZZPWCMCDI-UHFFFAOYSA-N
MW213.62 g/mol
LogP0.56
Rot. Bonds1

About (2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone

(2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone (PubChem CID 127006873) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is (2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone
PubChem CID127006873
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name(2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone
SMILESO=C(c1cnc(Cl)nc1)N1CCOC1
InChIInChI=1S/C8H8ClN3O2/c9-8-10-3-6(4-11-8)7(13)12-1-2-14-5-12/h3-4H,1-2,5H2
InChIKeyHSQQJZZPWCMCDI-UHFFFAOYSA-N
XLogP0.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-(2-chloropyrimidin-5-yl)methanone
CID 130550489
(2-chloropyrimidin-5-yl)-(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 134177581
morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20863908
1,3-oxazinan-3-yl(pyridin-4-yl)methanone
CID 110739628
[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153503
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109252034
6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone
CID 160724807
[2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
CID 166858457
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295

Frequently Asked Questions

What is the IUPAC name of (2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone?
The IUPAC name of (2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone (CID 127006873) is (2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone.
What is the SMILES notation for (2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone?
The canonical SMILES for (2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone is O=C(c1cnc(Cl)nc1)N1CCOC1.
What is the InChIKey of (2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone?
The InChIKey is HSQQJZZPWCMCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c9-8-10-3-6(4-11-8)7(13)12-1-2-14-5-12/h3-4H,1-2,5H2.
What are the key properties of (2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone?
(2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone has a molecular weight of 213.62 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone is sourced from PubChem (CID 127006873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).