[3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol

C18H24FN3O3 — CID 67433923

IUPAC[3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol
SMILESC[C@@H]1CN(c2c(CO)cc3c(NCC4CC4)noc3c2F)C[C@H](C)O1
InChIInChI=1S/C18H24FN3O3/c1-10-7-22(8-11(2)24-10)16-13(9-23)5-14-17(15(16)19)25-21-18(14)20-6-12-3-4-12/h5,10-12,23H,3-4,6-9H2,1-2H3,(H,20,21)/t10-,11+
InChIKeyNTDFUFBBGWTNEM-PHIMTYICSA-N
MW349.41 g/mol
LogP2.89
Rot. Bonds5

About [3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol

[3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol (PubChem CID 67433923) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is [3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol
PubChem CID67433923
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name[3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol
SMILESC[C@@H]1CN(c2c(CO)cc3c(NCC4CC4)noc3c2F)C[C@H](C)O1
InChIInChI=1S/C18H24FN3O3/c1-10-7-22(8-11(2)24-10)16-13(9-23)5-14-17(15(16)19)25-21-18(14)20-6-12-3-4-12/h5,10-12,23H,3-4,6-9H2,1-2H3,(H,20,21)/t10-,11+
InChIKeyNTDFUFBBGWTNEM-PHIMTYICSA-N
XLogP2.89
TPSA70.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4'R,6'S,7'S)-13'-(cyclopropylmethylamino)-17'-fluoro-4',6'-dimethylspiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
CID 67433376
6-[(2R,6R)-2,6-Dimethyl-4-morpholinyl]-7-fluoro-3-[(4S)-4-methyl-2-oxo-3-oxazolidinyl]-1,2-benzisoxazole-5-carboxaldehyde
CID 155930900
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(pyridin-2-ylmethylamino)-1,2-benzoxazol-5-yl]methanol
CID 67356580
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1,2-benzoxazol-5-yl]methanol
CID 67356739
{3-(benzylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl}methanol
CID 67356861
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]-1,2-benzoxazol-5-yl]methanol
CID 67356946
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-(2-methoxyethyl)-1,2-benzoxazole-3-carboxamide
CID 67357251
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide
CID 67357309
N-cyclopropyl-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide
CID 67357468
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N-methyl-1,2-benzoxazole-3-carboxamide
CID 67357529
N-(cyclohexylmethyl)-6-((2R,6S)-2,6-dimethylmorpholino)-7-fluoro-5-(hydroxymethyl)benzo[d]isoxazole-3-carboxamide
CID 67357557
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide
CID 67357602

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol?
The IUPAC name of [3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol (CID 67433923) is [3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol.
What is the SMILES notation for [3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol?
The canonical SMILES for [3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol is C[C@@H]1CN(c2c(CO)cc3c(NCC4CC4)noc3c2F)C[C@H](C)O1.
What is the InChIKey of [3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol?
The InChIKey is NTDFUFBBGWTNEM-PHIMTYICSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-10-7-22(8-11(2)24-10)16-13(9-23)5-14-17(15(16)19)25-21-18(14)20-6-12-3-4-12/h5,10-12,23H,3-4,6-9H2,1-2H3,(H,20,21)/t10-,11+.
What are the key properties of [3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol?
[3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol has a molecular weight of 349.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethylamino)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-5-yl]methanol is sourced from PubChem (CID 67433923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).