1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate

C18H20FN3O3 — CID 171824051

IUPAC1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate
SMILESO=C(Nc1ccc(C2CC3(CCNC3)C2)c(F)c1)OCc1cnco1
InChIInChI=1S/C18H20FN3O3/c19-16-5-13(22-17(23)24-9-14-8-21-11-25-14)1-2-15(16)12-6-18(7-12)3-4-20-10-18/h1-2,5,8,11-12,20H,3-4,6-7,9-10H2,(H,22,23)
InChIKeyJXJHXEPBFMXWMS-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.42
Rot. Bonds4

About 1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate

1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate (PubChem CID 171824051) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate.

Molecular Properties

Compound Name1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate
PubChem CID171824051
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate
SMILESO=C(Nc1ccc(C2CC3(CCNC3)C2)c(F)c1)OCc1cnco1
InChIInChI=1S/C18H20FN3O3/c19-16-5-13(22-17(23)24-9-14-8-21-11-25-14)1-2-15(16)12-6-18(7-12)3-4-20-10-18/h1-2,5,8,11-12,20H,3-4,6-7,9-10H2,(H,22,23)
InChIKeyJXJHXEPBFMXWMS-UHFFFAOYSA-N
XLogP3.42
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-oxazol-5-ylmethyl N-[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]carbamate
CID 171824263
1,3-oxazol-5-ylmethyl N-[4-[1-[(4-fluorobenzoyl)amino]ethyl]phenyl]carbamate
CID 171824320
tert-butyl 4-[4-(1,3-oxazol-5-ylmethoxycarbonylamino)phenyl]piperidine-1-carboxylate
CID 171824216
1,3-oxazol-5-ylmethyl N-[4-[[1-(dimethylaminosulfanyl)piperidin-4-yl]methyl]phenyl]carbamate
CID 171824226
1,3-oxazol-5-ylmethyl N-[4-[[8-(pyrrolidine-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]phenyl]carbamate
CID 171824484
pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate
CID 21001
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 64782595
N-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine
CID 163710297
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
benzyl N-[4-[(6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]decan-8-yl]-3-fluorophenyl]carbamate;benzyl N-[4-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclohexyl]-3-fluorophenyl]carbamate;ethane-1,2-diol
CID 158397260
4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
CID 119399848
1-[4-(3,4-difluorophenyl)sulfanylphenyl]-3-(1,3-oxazol-5-ylmethyl)urea
CID 135231588

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate?
The IUPAC name of 1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate (CID 171824051) is 1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate.
What is the SMILES notation for 1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate?
The canonical SMILES for 1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate is O=C(Nc1ccc(C2CC3(CCNC3)C2)c(F)c1)OCc1cnco1.
What is the InChIKey of 1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate?
The InChIKey is JXJHXEPBFMXWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-16-5-13(22-17(23)24-9-14-8-21-11-25-14)1-2-15(16)12-6-18(7-12)3-4-20-10-18/h1-2,5,8,11-12,20H,3-4,6-7,9-10H2,(H,22,23).
What are the key properties of 1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate?
1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate has a molecular weight of 345.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-5-ylmethyl N-[4-(6-azaspiro[3.4]octan-2-yl)-3-fluorophenyl]carbamate is sourced from PubChem (CID 171824051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).