6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine

C17H24FN3O2 — CID 141266263

IUPAC6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine
SMILESCCCN(C)c1noc2c(F)c(N3C[C@@H](C)O[C@@H](C)C3)ccc12
InChIInChI=1S/C17H24FN3O2/c1-5-8-20(4)17-13-6-7-14(15(18)16(13)23-19-17)21-9-11(2)22-12(3)10-21/h6-7,11-12H,5,8-10H2,1-4H3/t11-,12+
InChIKeyBCENNGCAWOITPS-TXEJJXNPSA-N
MW321.40 g/mol
LogP3.43
Rot. Bonds4

About 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine (PubChem CID 141266263) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine
PubChem CID141266263
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine
SMILESCCCN(C)c1noc2c(F)c(N3C[C@@H](C)O[C@@H](C)C3)ccc12
InChIInChI=1S/C17H24FN3O2/c1-5-8-20(4)17-13-6-7-14(15(18)16(13)23-19-17)21-9-11(2)22-12(3)10-21/h6-7,11-12H,5,8-10H2,1-4H3/t11-,12+
InChIKeyBCENNGCAWOITPS-TXEJJXNPSA-N
XLogP3.43
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole
CID 141266264
N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine
CID 141266232
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(1H-pyrazol-4-yl)-1,2-benzoxazole
CID 141266261
6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-3-methyl-1,2-benzoxazole
CID 141266246
4-[(2R)-2,6-dimethylmorpholin-4-yl]-2,3-difluoro-N-methylaniline
CID 70839117
(2R,6S)-4-(4-ethyl-3-fluoro-2-methylphenyl)-2,6-dimethylmorpholine
CID 59546197
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N,N-dimethyl-1,2-benzoxazole-3-carboxamide
CID 67358081
7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole
CID 141266260
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol
CID 67358403
(2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine
CID 141266277
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide
CID 67359591
6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(triazol-2-yl)-1,2-benzoxazole-5-carbaldehyde
CID 91462461

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine?
The IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine (CID 141266263) is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine.
What is the SMILES notation for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine?
The canonical SMILES for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine is CCCN(C)c1noc2c(F)c(N3C[C@@H](C)O[C@@H](C)C3)ccc12.
What is the InChIKey of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine?
The InChIKey is BCENNGCAWOITPS-TXEJJXNPSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-5-8-20(4)17-13-6-7-14(15(18)16(13)23-19-17)21-9-11(2)22-12(3)10-21/h6-7,11-12H,5,8-10H2,1-4H3/t11-,12+.
What are the key properties of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine?
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine has a molecular weight of 321.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine is sourced from PubChem (CID 141266263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).