1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine

C11H12ClN3O — CID 83842622

IUPAC1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2nc3ccc(Cl)cc3o2)C1
InChIInChI=1S/C11H12ClN3O/c12-7-1-2-9-10(5-7)16-11(14-9)15-4-3-8(13)6-15/h1-2,5,8H,3-4,6,13H2
InChIKeyIEQJRKHXBPWKSC-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.02
Rot. Bonds1

About 1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine

1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine (PubChem CID 83842622) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine
PubChem CID83842622
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2nc3ccc(Cl)cc3o2)C1
InChIInChI=1S/C11H12ClN3O/c12-7-1-2-9-10(5-7)16-11(14-9)15-4-3-8(13)6-15/h1-2,5,8H,3-4,6,13H2
InChIKeyIEQJRKHXBPWKSC-UHFFFAOYSA-N
XLogP2.02
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride
CID 90484315
6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole
CID 172901008
[4-(6-chloro-1,3-benzoxazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
CID 171335973
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-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
CID 154565362
2-(3-methylpyrrolidin-1-yl)-1,3-benzoxazol-6-amine
CID 79893410
[4-(6-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 165435446
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone
CID 154571204
1-(6-chloro-1,3-benzoxazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 154822947
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
6-chloro-2-(4-methylsulfonylpiperazin-1-yl)-1,3-benzoxazole
CID 166603660

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine (CID 83842622) is 1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine is NC1CCN(c2nc3ccc(Cl)cc3o2)C1.
What is the InChIKey of 1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine?
The InChIKey is IEQJRKHXBPWKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-7-1-2-9-10(5-7)16-11(14-9)15-4-3-8(13)6-15/h1-2,5,8H,3-4,6,13H2.
What are the key properties of 1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine?
1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine has a molecular weight of 237.69 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 83842622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).