1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine

C10H10ClFN2O2 — CID 23368398

IUPAC1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine
SMILESNC(CF)COc1noc2ccc(Cl)cc12
InChIInChI=1S/C10H10ClFN2O2/c11-6-1-2-9-8(3-6)10(14-16-9)15-5-7(13)4-12/h1-3,7H,4-5,13H2
InChIKeyMDMMNNABCJFCKK-UHFFFAOYSA-N
MW244.65 g/mol
LogP2.16
Rot. Bonds4

About 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine

1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine (PubChem CID 23368398) has the molecular formula C10H10ClFN2O2 and a molecular weight of 244.65 g/mol. Its IUPAC name is 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine.

Molecular Properties

Compound Name1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine
PubChem CID23368398
Molecular FormulaC10H10ClFN2O2
Molecular Weight244.65 g/mol
Exact Mass244.04
IUPAC Name1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine
SMILESNC(CF)COc1noc2ccc(Cl)cc12
InChIInChI=1S/C10H10ClFN2O2/c11-6-1-2-9-8(3-6)10(14-16-9)15-5-7(13)4-12/h1-3,7H,4-5,13H2
InChIKeyMDMMNNABCJFCKK-UHFFFAOYSA-N
XLogP2.16
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine?
The IUPAC name of 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine (CID 23368398) is 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine.
What is the SMILES notation for 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine?
The canonical SMILES for 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine is NC(CF)COc1noc2ccc(Cl)cc12.
What is the InChIKey of 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine?
The InChIKey is MDMMNNABCJFCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O2/c11-6-1-2-9-8(3-6)10(14-16-9)15-5-7(13)4-12/h1-3,7H,4-5,13H2.
What are the key properties of 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine?
1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine has a molecular weight of 244.65 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-fluoropropan-2-amine is sourced from PubChem (CID 23368398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).