2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole

C10H10ClNO2 — CID 12786641

IUPAC2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(Cl)cc1C1=NCCO1
InChIInChI=1S/C10H10ClNO2/c1-13-9-3-2-7(11)6-8(9)10-12-4-5-14-10/h2-3,6H,4-5H2,1H3
InChIKeyMMAQGNVNYLWYTB-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.13
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole

2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 12786641) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID12786641
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(Cl)cc1C1=NCCO1
InChIInChI=1S/C10H10ClNO2/c1-13-9-3-2-7(11)6-8(9)10-12-4-5-14-10/h2-3,6H,4-5H2,1H3
InChIKeyMMAQGNVNYLWYTB-UHFFFAOYSA-N
XLogP2.13
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 160797416
1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethanone
CID 116826274
7-(5-chloro-2-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepine
CID 91468351
2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771469
4-(1,3-benzodioxol-5-ylmethylidene)-2-(5-chloro-2-methoxyphenyl)-1,3-oxazol-5-one
CID 5145611
5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
CID 143319889
1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 134629660
2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
CID 114771081
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine
CID 79072753
[3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine
CID 82482117
(4E)-2-(5-chloro-2-methoxyphenyl)-4-[(3-chlorophenyl)methylidene]-1,3-oxazol-5-one
CID 96885732

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole (CID 12786641) is 2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole is COc1ccc(Cl)cc1C1=NCCO1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is MMAQGNVNYLWYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-13-9-3-2-7(11)6-8(9)10-12-4-5-14-10/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 211.65 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 12786641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).