N-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide

C22H18FN5O2 — CID 67197458

IUPACN-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1onc(-c2ccc(F)cc2)c1-c1ccnc(N)n1)c1ccccc1
InChIInChI=1S/C22H18FN5O2/c1-13(14-5-3-2-4-6-14)20(29)27-21-18(17-11-12-25-22(24)26-17)19(28-30-21)15-7-9-16(23)10-8-15/h2-13H,1H3,(H,27,29)(H2,24,25,26)
InChIKeyVDNVNMVRQZUAOL-UHFFFAOYSA-N
MW403.42 g/mol
LogP4.26
Rot. Bonds5

About N-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide

N-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide (PubChem CID 67197458) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is N-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide
PubChem CID67197458
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC NameN-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1onc(-c2ccc(F)cc2)c1-c1ccnc(N)n1)c1ccccc1
InChIInChI=1S/C22H18FN5O2/c1-13(14-5-3-2-4-6-14)20(29)27-21-18(17-11-12-25-22(24)26-17)19(28-30-21)15-7-9-16(23)10-8-15/h2-13H,1H3,(H,27,29)(H2,24,25,26)
InChIKeyVDNVNMVRQZUAOL-UHFFFAOYSA-N
XLogP4.26
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67195743
N-[3-(2,4-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylpropanamide
CID 69007405
N-[4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57465234
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 140544107
4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-amine
CID 67073877
N-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide
CID 141253549
N-[3-(4-fluorophenyl)-4-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 140544118
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(4-nitrophenyl)acetamide
CID 67197451
N-[6-fluoro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-phenylpropanamide
CID 66991435
4-[2-(4-fluorophenyl)-3-pyridinyl]pyrimidin-2-amine
CID 10220968
N-(6-amino-3-pyridinyl)-2-phenylpropanamide
CID 114028846

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide?
The IUPAC name of N-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide (CID 67197458) is N-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide.
What is the SMILES notation for N-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide?
The canonical SMILES for N-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide is CC(C(=O)Nc1onc(-c2ccc(F)cc2)c1-c1ccnc(N)n1)c1ccccc1.
What is the InChIKey of N-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide?
The InChIKey is VDNVNMVRQZUAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-13(14-5-3-2-4-6-14)20(29)27-21-18(17-11-12-25-22(24)26-17)19(28-30-21)15-7-9-16(23)10-8-15/h2-13H,1H3,(H,27,29)(H2,24,25,26).
What are the key properties of N-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide?
N-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide has a molecular weight of 403.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopyrimidin-4-yl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylpropanamide is sourced from PubChem (CID 67197458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).