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

C21H19FN4O — CID 92692169

IUPAC3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESC[C@@H](CCc1ccccc1)Nc1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C21H19FN4O/c1-14(7-8-15-5-3-2-4-6-15)25-20-18-19(16-9-11-17(22)12-10-16)26-27-21(18)24-13-23-20/h2-6,9-14H,7-8H2,1H3,(H,23,24,25)/t14-/m0/s1
InChIKeyCTFSELFAQDRRPK-AWEZNQCLSA-N
MW362.41 g/mol
LogP4.86
Rot. Bonds6

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

3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 92692169) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID92692169
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESC[C@@H](CCc1ccccc1)Nc1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C21H19FN4O/c1-14(7-8-15-5-3-2-4-6-15)25-20-18-19(16-9-11-17(22)12-10-16)26-27-21(18)24-13-23-20/h2-6,9-14H,7-8H2,1H3,(H,23,24,25)/t14-/m0/s1
InChIKeyCTFSELFAQDRRPK-AWEZNQCLSA-N
XLogP4.86
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922589
3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359527
ethyl (2R)-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutanoate
CID 92745638
N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922592
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922581
ethyl (2S)-2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylpentanoate
CID 92706737
N-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 163322930
1-[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 92877403
N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922617
N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 155809347
3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359472
5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 80900314

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 92692169) is 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is C[C@@H](CCc1ccccc1)Nc1ncnc2onc(-c3ccc(F)cc3)c12.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is CTFSELFAQDRRPK-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-14(7-8-15-5-3-2-4-6-15)25-20-18-19(16-9-11-17(22)12-10-16)26-27-21(18)24-13-23-20/h2-6,9-14H,7-8H2,1H3,(H,23,24,25)/t14-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 362.41 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 92692169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).