(7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

C16H14ClN3O4 — CID 124886393

IUPAC(7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1c(C(=O)N2CCO[C@H](c3ncon3)C2)oc2c(Cl)cccc12
InChIInChI=1S/C16H14ClN3O4/c1-9-10-3-2-4-11(17)14(10)24-13(9)16(21)20-5-6-22-12(7-20)15-18-8-23-19-15/h2-4,8,12H,5-7H2,1H3/t12-/m0/s1
InChIKeyGIOCOMOBCFGCOP-LBPRGKRZSA-N
MW347.76 g/mol
LogP2.99
Rot. Bonds2

About (7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

(7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 124886393) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is (7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID124886393
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC Name(7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1c(C(=O)N2CCO[C@H](c3ncon3)C2)oc2c(Cl)cccc12
InChIInChI=1S/C16H14ClN3O4/c1-9-10-3-2-4-11(17)14(10)24-13(9)16(21)20-5-6-22-12(7-20)15-18-8-23-19-15/h2-4,8,12H,5-7H2,1H3/t12-/m0/s1
InChIKeyGIOCOMOBCFGCOP-LBPRGKRZSA-N
XLogP2.99
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 119410350
azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 17439317
(3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327895
(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110878437
(7-chloro-3-methyl-1-benzofuran-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539471
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97352196
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 9440318
2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697653
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 46455033
2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78800961
1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55818612
(8-chloro-2-methylquinolin-4-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 126433400

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of (7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 124886393) is (7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for (7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is Cc1c(C(=O)N2CCO[C@H](c3ncon3)C2)oc2c(Cl)cccc12.
What is the InChIKey of (7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is GIOCOMOBCFGCOP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-9-10-3-2-4-11(17)14(10)24-13(9)16(21)20-5-6-22-12(7-20)15-18-8-23-19-15/h2-4,8,12H,5-7H2,1H3/t12-/m0/s1.
What are the key properties of (7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
(7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 347.76 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124886393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).