(5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone

C16H18ClNO3 — CID 114736916

IUPAC(5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H18ClNO3/c1-2-5-18-13-9-20-8-12(13)16(19)15-7-10-6-11(17)3-4-14(10)21-15/h3-4,6-7,12-13,18H,2,5,8-9H2,1H3
InChIKeyPBERZCNTSJYYEO-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.28
Rot. Bonds5

About (5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone

(5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 114736916) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID114736916
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name(5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H18ClNO3/c1-2-5-18-13-9-20-8-12(13)16(19)15-7-10-6-11(17)3-4-14(10)21-15/h3-4,6-7,12-13,18H,2,5,8-9H2,1H3
InChIKeyPBERZCNTSJYYEO-UHFFFAOYSA-N
XLogP3.28
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 114736917
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81357106
2-(3,5-dimethylphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587669
(2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116811557
3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808599
7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808619
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 114725457
[4-(aminomethyl)cyclohexyl]-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737009
(3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587830
3-amino-1-(5-chloro-1-benzofuran-2-yl)hexan-1-one
CID 114737318
5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone (CID 114736916) is (5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is PBERZCNTSJYYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-2-5-18-13-9-20-8-12(13)16(19)15-7-10-6-11(17)3-4-14(10)21-15/h3-4,6-7,12-13,18H,2,5,8-9H2,1H3.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone?
(5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 307.78 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 114736916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).