N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine

C16H19FN2O3 — CID 100693367

IUPACN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine
SMILESFc1cccc2oc(NC[C@@H]3COC4(CCCCC4)O3)nc12
InChIInChI=1S/C16H19FN2O3/c17-12-5-4-6-13-14(12)19-15(21-13)18-9-11-10-20-16(22-11)7-2-1-3-8-16/h4-6,11H,1-3,7-10H2,(H,18,19)/t11-/m1/s1
InChIKeyLHBLEPKSSPYXMS-LLVKDONJSA-N
MW306.34 g/mol
LogP3.45
Rot. Bonds3

About N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine

N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine (PubChem CID 100693367) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine
PubChem CID100693367
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC NameN-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine
SMILESFc1cccc2oc(NC[C@@H]3COC4(CCCCC4)O3)nc12
InChIInChI=1S/C16H19FN2O3/c17-12-5-4-6-13-14(12)19-15(21-13)18-9-11-10-20-16(22-11)7-2-1-3-8-16/h4-6,11H,1-3,7-10H2,(H,18,19)/t11-/m1/s1
InChIKeyLHBLEPKSSPYXMS-LLVKDONJSA-N
XLogP3.45
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-benzoxazol-2-amine
CID 97338006
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(2-fluorophenyl)oxamide
CID 7423731
6-(trifluoromethyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]pyridin-2-amine
CID 97259582
N'-[[(3R)-1,4-dioxaspiro[4.11]hexadecan-3-yl]methyl]ethane-1,2-diamine
CID 2056580
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)ethane-1,2-diamine
CID 71402411
(1R)-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-1-naphthalen-1-ylethanamine
CID 97333037
trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
CID 126790788
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412095
2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
CID 18583785
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide
CID 41412119
4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
CID 18583938
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412128

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine?
The IUPAC name of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine (CID 100693367) is N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine is Fc1cccc2oc(NC[C@@H]3COC4(CCCCC4)O3)nc12.
What is the InChIKey of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine?
The InChIKey is LHBLEPKSSPYXMS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19FN2O3/c17-12-5-4-6-13-14(12)19-15(21-13)18-9-11-10-20-16(22-11)7-2-1-3-8-16/h4-6,11H,1-3,7-10H2,(H,18,19)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine?
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine has a molecular weight of 306.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-4-fluoro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 100693367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).