N-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine

C19H18FN3O — CID 139699853

IUPACN-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine
SMILESCCN(Cc1c[nH]c2ccc(F)cc12)Cc1noc2ccccc12
InChIInChI=1S/C19H18FN3O/c1-2-23(12-18-15-5-3-4-6-19(15)24-22-18)11-13-10-21-17-8-7-14(20)9-16(13)17/h3-10,21H,2,11-12H2,1H3
InChIKeyLBWPCQINYDZFJN-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.47
Rot. Bonds5

About N-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine

N-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine (PubChem CID 139699853) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine
PubChem CID139699853
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine
SMILESCCN(Cc1c[nH]c2ccc(F)cc12)Cc1noc2ccccc12
InChIInChI=1S/C19H18FN3O/c1-2-23(12-18-15-5-3-4-6-19(15)24-22-18)11-13-10-21-17-8-7-14(20)9-16(13)17/h3-10,21H,2,11-12H2,1H3
InChIKeyLBWPCQINYDZFJN-UHFFFAOYSA-N
XLogP4.47
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(3-methylisoxazol-5-yl)-1H-indole-7-carboxamide
CID 507858
Unii-HB82hzf849
CID 9866660
6-fluoro-3-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 141745660
6-Fluoro-3-[4-(5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-15-yl)butyl]-1,2-benzoxazole
CID 15646191
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57392014
3-(1,2-benzoxazol-3-yl)-4-[1-[2-(2H-imidazol-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione
CID 137645628
3-{3-[4-(1,2-Benzisoxazol-3-yl)piperidyl]propyl}-2-methylindole
CID 13078389
3-{3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidyl]propyl}-2-methylindole
CID 13078390
3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazol-5-ol
CID 13078395
5-fluoro-3-[1-[3-(2-methyl-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 13078397
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(1H-pyrrol-2-yl)piperazin-2-one
CID 68158217
7-(4-Methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole
CID 71515497

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine?
The IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine (CID 139699853) is N-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine?
The canonical SMILES for N-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine is CCN(Cc1c[nH]c2ccc(F)cc12)Cc1noc2ccccc12.
What is the InChIKey of N-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine?
The InChIKey is LBWPCQINYDZFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-2-23(12-18-15-5-3-4-6-19(15)24-22-18)11-13-10-21-17-8-7-14(20)9-16(13)17/h3-10,21H,2,11-12H2,1H3.
What are the key properties of N-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine?
N-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine has a molecular weight of 323.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-ylmethyl)-N-[(5-fluoro-1H-indol-3-yl)methyl]ethanamine is sourced from PubChem (CID 139699853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).