N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine

C18H26FN3O2 — CID 126814460

IUPACN-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(Cc1nc2cc(F)ccc2o1)CC(C)(C)CN1CCOCC1
InChIInChI=1S/C18H26FN3O2/c1-18(2,13-22-6-8-23-9-7-22)12-21(3)11-17-20-15-10-14(19)4-5-16(15)24-17/h4-5,10H,6-9,11-13H2,1-3H3
InChIKeyGPEDYZFMPNMDAD-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.76
Rot. Bonds6

About N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine

N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 126814460) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine
PubChem CID126814460
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(Cc1nc2cc(F)ccc2o1)CC(C)(C)CN1CCOCC1
InChIInChI=1S/C18H26FN3O2/c1-18(2,13-22-6-8-23-9-7-22)12-21(3)11-17-20-15-10-14(19)4-5-16(15)24-17/h4-5,10H,6-9,11-13H2,1-3H3
InChIKeyGPEDYZFMPNMDAD-UHFFFAOYSA-N
XLogP2.76
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine with MolForge

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Related Compounds

N-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 171810701
1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-2-amine
CID 64792869
N-[(2,4-dimethoxy-1,3-thiazol-5-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine
CID 126824584
N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N-methylthiolan-3-amine
CID 84591837
5-fluoro-2-propyl-1,3-benzoxazole
CID 82229772
N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine
CID 115200125
2-[[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]methyl]-5-fluoro-1,3-benzoxazole
CID 126810576
N,2,2-trimethyl-3-morpholin-4-yl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]propan-1-amine
CID 99929096
1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]cyclopentan-1-amine
CID 64793233
2-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-5-amine
CID 79964128
5-(azetidin-1-ylmethyl)-N-(5-fluoro-1-methylbenzimidazol-2-yl)-1,3-benzoxazol-2-amine
CID 171810679
4-[2-[3-(4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]morpholine
CID 138055444

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine (CID 126814460) is N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine is CN(Cc1nc2cc(F)ccc2o1)CC(C)(C)CN1CCOCC1.
What is the InChIKey of N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is GPEDYZFMPNMDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-18(2,13-22-6-8-23-9-7-22)12-21(3)11-17-20-15-10-14(19)4-5-16(15)24-17/h4-5,10H,6-9,11-13H2,1-3H3.
What are the key properties of N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine?
N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 335.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-N,2,2-trimethyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 126814460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).