N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide

C38H41F3N10O4 — CID 67151864

About N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide

N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide (PubChem CID 67151864) has the molecular formula C38H41F3N10O4 and a molecular weight of 758.81 g/mol. Its IUPAC name is N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide
• PubChem CID: 67151864
• Molecular Formula: C38H41F3N10O4
• Molecular Weight: 758.81 g/mol
• Exact Mass: 758.33
• IUPAC Name: N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide
• SMILES: CCc1cnc(C(=O)Nc2ccc(CC[C@H]3COC(N)=N3)cc2)cn1.NC1=N[C@@H](CCc2ccc(NC(=O)c3cnc(C(F)(F)F)nc3C3CC3)cc2)CO1
• InChI: InChI=1S/C20H20F3N5O2.C18H21N5O2/c21-20(22,23)18-25-9-15(16(28-18)12-4-5-12)17(29)26-13-6-1-11(2-7-13)3-8-14-10-30-19(24)27-14;1-2-13-9-21-16(10-20-13)17(24)22-14-6-3-12(4-7-14)5-8-15-11-25-18(19)23-15/h1-2,6-7,9,12,14H,3-5,8,10H2,(H2,24,27)(H,26,29);3-4,6-7,9-10,15H,2,5,8,11H2,1H3,(H2,19,23)(H,22,24)/t14-;15-/m00/s1
• InChIKey: ZXKVSQHAPHGKRB-GMBRYWPFSA-N
• XLogP: 5.21
• TPSA: 204.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	758.81
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide?

The IUPAC name of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide (CID 67151864) is N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide.

What is the SMILES notation for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide?

The canonical SMILES for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide is CCc1cnc(C(=O)Nc2ccc(CC[C@H]3COC(N)=N3)cc2)cn1.NC1=N[C@@H](CCc2ccc(NC(=O)c3cnc(C(F)(F)F)nc3C3CC3)cc2)CO1.

What is the InChIKey of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide?

The InChIKey is ZXKVSQHAPHGKRB-GMBRYWPFSA-N. The full InChI is InChI=1S/C20H20F3N5O2.C18H21N5O2/c21-20(22,23)18-25-9-15(16(28-18)12-4-5-12)17(29)26-13-6-1-11(2-7-13)3-8-14-10-30-19(24)27-14;1-2-13-9-21-16(10-20-13)17(24)22-14-6-3-12(4-7-14)5-8-15-11-25-18(19)23-15/h1-2,6-7,9,12,14H,3-5,8,10H2,(H2,24,27)(H,26,29);3-4,6-7,9-10,15H,2,5,8,11H2,1H3,(H2,19,23)(H,22,24)/t14-;15-/m00/s1.

What are the key properties of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide?

N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide has a molecular weight of 758.81 g/mol, XLogP of 5.21, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-4-cyclopropyl-2-(trifluoromethyl)pyrimidine-5-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 67151864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).