2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole

C19H18N2O3 — CID 24632103

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole
SMILESc1ccc2oc(N3CCCC3c3ccc4c(c3)OCCO4)nc2c1
InChIInChI=1S/C19H18N2O3/c1-2-6-16-14(4-1)20-19(24-16)21-9-3-5-15(21)13-7-8-17-18(12-13)23-11-10-22-17/h1-2,4,6-8,12,15H,3,5,9-11H2
InChIKeyNQMXMJQXINKTNF-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.94
Rot. Bonds2

About 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole (PubChem CID 24632103) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole
PubChem CID24632103
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole
SMILESc1ccc2oc(N3CCCC3c3ccc4c(c3)OCCO4)nc2c1
InChIInChI=1S/C19H18N2O3/c1-2-6-16-14(4-1)20-19(24-16)21-9-3-5-15(21)13-7-8-17-18(12-13)23-11-10-22-17/h1-2,4,6-8,12,15H,3,5,9-11H2
InChIKeyNQMXMJQXINKTNF-UHFFFAOYSA-N
XLogP3.94
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone
CID 9361021
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyrazine
CID 95264819
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 99804615
6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 51886207
5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 122047555
6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 53499803
3-[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63759489
3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]chromen-2-one
CID 18097487
2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-methoxypyrimidine
CID 40988055
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 51169907
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide
CID 17418827

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole (CID 24632103) is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole is c1ccc2oc(N3CCCC3c3ccc4c(c3)OCCO4)nc2c1.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole?
The InChIKey is NQMXMJQXINKTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-6-16-14(4-1)20-19(24-16)21-9-3-5-15(21)13-7-8-17-18(12-13)23-11-10-22-17/h1-2,4,6-8,12,15H,3,5,9-11H2.
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole?
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole has a molecular weight of 322.36 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 24632103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).