4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine

C14H17FN2O2 — CID 124886032

IUPAC4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine
SMILESCCC[C@]1(Nc2nc3c(F)cccc3o2)CCOC1
InChIInChI=1S/C14H17FN2O2/c1-2-6-14(7-8-18-9-14)17-13-16-12-10(15)4-3-5-11(12)19-13/h3-5H,2,6-9H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyDLOXMJKHIUFEBX-AWEZNQCLSA-N
MW264.30 g/mol
LogP3.34
Rot. Bonds4

About 4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine

4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine (PubChem CID 124886032) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine
PubChem CID124886032
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine
SMILESCCC[C@]1(Nc2nc3c(F)cccc3o2)CCOC1
InChIInChI=1S/C14H17FN2O2/c1-2-6-14(7-8-18-9-14)17-13-16-12-10(15)4-3-5-11(12)19-13/h3-5H,2,6-9H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyDLOXMJKHIUFEBX-AWEZNQCLSA-N
XLogP3.34
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-[3-(methoxymethyl)oxolan-3-yl]-1,3-benzoxazol-2-amine
CID 166601331
4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine
CID 130610268
3-(1-ethyl-4-fluorobenzimidazol-2-yl)oxolan-3-amine
CID 64888050
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]-4-fluoro-1,3-benzoxazol-2-amine
CID 100693367
4-fluoro-2-propan-2-yl-1,3-benzoxazole
CID 59589274
(2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]-4-methylpentanoic acid
CID 122049252
N-(3-propyloxolan-3-yl)acetamide
CID 130634427
4-fluoro-2-(6-methylheptan-3-yl)-1,3-benzoxazole
CID 144503877
4-fluoro-N-(1H-pyrazol-4-yl)-1,3-benzoxazol-2-amine
CID 166224803
2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
CID 82401381
4-nitro-N-[1-(trifluoromethyl)cyclopropyl]-1,3-benzoxazol-2-amine
CID 106215112

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine (CID 124886032) is 4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine is CCC[C@]1(Nc2nc3c(F)cccc3o2)CCOC1.
What is the InChIKey of 4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine?
The InChIKey is DLOXMJKHIUFEBX-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-2-6-14(7-8-18-9-14)17-13-16-12-10(15)4-3-5-11(12)19-13/h3-5H,2,6-9H2,1H3,(H,16,17)/t14-/m0/s1.
What are the key properties of 4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine?
4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine has a molecular weight of 264.30 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3S)-3-propyloxolan-3-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 124886032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).