N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C18H20FN5O — CID 20922535

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCN1CCCC1CNc1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C18H20FN5O/c1-2-24-9-3-4-14(24)10-20-17-15-16(12-5-7-13(19)8-6-12)23-25-18(15)22-11-21-17/h5-8,11,14H,2-4,9-10H2,1H3,(H,20,21,22)
InChIKeyOIYKKFXRRFHDNR-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.32
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 20922535) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID20922535
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCN1CCCC1CNc1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C18H20FN5O/c1-2-24-9-3-4-14(24)10-20-17-15-16(12-5-7-13(19)8-6-12)23-25-18(15)22-11-21-17/h5-8,11,14H,2-4,9-10H2,1H3,(H,20,21,22)
InChIKeyOIYKKFXRRFHDNR-UHFFFAOYSA-N
XLogP3.32
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 16023700
4-[4-(4-Fluorophenyl)piperazino]-3-methylisoxazolo[5,4-d]pyrimidine
CID 1481214
2-{[3-(4-Fluorophenyl)isoxazolo[5,4-d]pyrimidin-4-yl]amino}butan-1-ol
CID 20924767
2-{[3-(4-Fluorophenyl)isoxazolo[5,4-D]pyrimidin-4-YL]amino}-2-methyl-1-propanol
CID 20924768
2-{Ethyl[3-(4-fluorophenyl)isoxazolo[5,4-d]pyrimidin-4-yl]amino}ethanol
CID 20924775
Methyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-D]pyrimidin-4-YL]amino}-3-hydroxypropanoate
CID 22334826
1-(4-(4-Aminoisoxazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
CID 10025788
1-(4-(4-Aminoisoxazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-m-tolylurea
CID 10067064
1-(4-(4-Aminoisoxazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(3-ethylphenyl)urea
CID 10362034
1-(4-(4-Aminoisoxazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 10409523
N-isopropyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrazin-3-amine
CID 117834061
N-tert-butyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 117841270

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 20922535) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CCN1CCCC1CNc1ncnc2onc(-c3ccc(F)cc3)c12.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is OIYKKFXRRFHDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-2-24-9-3-4-14(24)10-20-17-15-16(12-5-7-13(19)8-6-12)23-25-18(15)22-11-21-17/h5-8,11,14H,2-4,9-10H2,1H3,(H,20,21,22).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 341.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20922535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).