6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole

C15H18ClN3O2 — CID 172901008

IUPAC6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole
SMILESClc1ccc2nc(N3CCC(N4CCOCC4)C3)oc2c1
InChIInChI=1S/C15H18ClN3O2/c16-11-1-2-13-14(9-11)21-15(17-13)19-4-3-12(10-19)18-5-7-20-8-6-18/h1-2,9,12H,3-8,10H2
InChIKeyUDOMDIPXMHPCDV-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.39
Rot. Bonds2

About 6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole

6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole (PubChem CID 172901008) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole
PubChem CID172901008
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole
SMILESClc1ccc2nc(N3CCC(N4CCOCC4)C3)oc2c1
InChIInChI=1S/C15H18ClN3O2/c16-11-1-2-13-14(9-11)21-15(17-13)19-4-3-12(10-19)18-5-7-20-8-6-18/h1-2,9,12H,3-8,10H2
InChIKeyUDOMDIPXMHPCDV-UHFFFAOYSA-N
XLogP2.39
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine
CID 83842622
1-(6-chloro-1,3-benzoxazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 154822947
[4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
CID 171335973
5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole
CID 146044554
ethyl 1-(6-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 57360960
[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 154565639
2-morpholin-4-yl-1,3-benzoxazol-6-ol
CID 146454135
[4-(6-chloro-1,3-benzoxazol-2-yl)morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 154581086
[4-(6-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 165435446
N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171997841
6-chloro-2-(4-methylsulfonylpiperazin-1-yl)-1,3-benzoxazole
CID 166603660
2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole-5-carboxamide
CID 135148582

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole (CID 172901008) is 6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole is Clc1ccc2nc(N3CCC(N4CCOCC4)C3)oc2c1.
What is the InChIKey of 6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole?
The InChIKey is UDOMDIPXMHPCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-11-1-2-13-14(9-11)21-15(17-13)19-4-3-12(10-19)18-5-7-20-8-6-18/h1-2,9,12H,3-8,10H2.
What are the key properties of 6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole?
6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole has a molecular weight of 307.78 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 172901008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).