2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine

C19H19F2N3O — CID 141071106

IUPAC2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine
SMILESFc1cc(F)cc(-c2nc3ccc(NCCN4CCCC4)cc3o2)c1
InChIInChI=1S/C19H19F2N3O/c20-14-9-13(10-15(21)11-14)19-23-17-4-3-16(12-18(17)25-19)22-5-8-24-6-1-2-7-24/h3-4,9-12,22H,1-2,5-8H2
InChIKeySBYIREBCERCYBC-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.28
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine

2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine (PubChem CID 141071106) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine
PubChem CID141071106
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine
SMILESFc1cc(F)cc(-c2nc3ccc(NCCN4CCCC4)cc3o2)c1
InChIInChI=1S/C19H19F2N3O/c20-14-9-13(10-15(21)11-14)19-23-17-4-3-16(12-18(17)25-19)22-5-8-24-6-1-2-7-24/h3-4,9-12,22H,1-2,5-8H2
InChIKeySBYIREBCERCYBC-UHFFFAOYSA-N
XLogP4.28
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine
CID 141071111
2-methyl-N-(2-piperazin-1-ylethyl)-1,3-benzoxazol-6-amine
CID 115230297
N',N'-dimethyl-N-[2-(3,4,5-trifluorophenyl)-1,3-benzoxazol-6-yl]ethane-1,2-diamine
CID 91115302
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741
N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
CID 62575706
4-(1,3-benzoxazol-2-yl)-2-nitro-N-(2-piperidin-1-ylethyl)aniline;2-(4-fluoro-3-nitrophenyl)-1,3-benzoxazole
CID 157059328
3-bromo-4-fluoro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911912
N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine
CID 55023477
2-(3-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,3-benzoxazole
CID 91682454
4-N-[2-(azepan-1-yl)ethyl]benzene-1,2,4-triamine
CID 106750490
N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 107911339
3-[6-(2-phenylethylamino)-1,3-benzoxazol-2-yl]benzoic acid
CID 11581243

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine (CID 141071106) is 2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine is Fc1cc(F)cc(-c2nc3ccc(NCCN4CCCC4)cc3o2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine?
The InChIKey is SBYIREBCERCYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c20-14-9-13(10-15(21)11-14)19-23-17-4-3-16(12-18(17)25-19)22-5-8-24-6-1-2-7-24/h3-4,9-12,22H,1-2,5-8H2.
What are the key properties of 2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine?
2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine has a molecular weight of 343.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 141071106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).