(3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide

C21H19F2N3O4 — CID 95787756

IUPAC(3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1ccccc1
InChIInChI=1S/C21H19F2N3O4/c1-13(27)24-17(14-5-3-2-4-6-14)11-19(28)25-20-12-18(26-30-20)15-7-9-16(10-8-15)29-21(22)23/h2-10,12,17,21H,11H2,1H3,(H,24,27)(H,25,28)/t17-/m1/s1
InChIKeyDDYKSEOJHCOKOO-QGZVFWFLSA-N
MW415.40 g/mol
LogP4.15
Rot. Bonds8

About (3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide

(3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide (PubChem CID 95787756) has the molecular formula C21H19F2N3O4 and a molecular weight of 415.40 g/mol. Its IUPAC name is (3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide
PubChem CID95787756
Molecular FormulaC21H19F2N3O4
Molecular Weight415.40 g/mol
Exact Mass415.13
IUPAC Name(3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1ccccc1
InChIInChI=1S/C21H19F2N3O4/c1-13(27)24-17(14-5-3-2-4-6-14)11-19(28)25-20-12-18(26-30-20)15-7-9-16(10-8-15)29-21(22)23/h2-10,12,17,21H,11H2,1H3,(H,24,27)(H,25,28)/t17-/m1/s1
InChIKeyDDYKSEOJHCOKOO-QGZVFWFLSA-N
XLogP4.15
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-acetamido-N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502651
3-acetamido-3-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 51195341
2-(4-fluorophenoxy)-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
CID 17013988
3-acetamido-N-[4-(4-methylphenoxy)phenyl]-3-phenylpropanamide
CID 24636973
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 9345947
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3-phenyl-1,2-oxazol-5-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55479074
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
N-[(1S)-3-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 9367485
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
N-[4-(difluoromethoxy)phenyl]-3,3-diphenylpropanamide
CID 7941321

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide (CID 95787756) is (3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide is CC(=O)N[C@H](CC(=O)Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1ccccc1.
What is the InChIKey of (3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide?
The InChIKey is DDYKSEOJHCOKOO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19F2N3O4/c1-13(27)24-17(14-5-3-2-4-6-14)11-19(28)25-20-12-18(26-30-20)15-7-9-16(10-8-15)29-21(22)23/h2-10,12,17,21H,11H2,1H3,(H,24,27)(H,25,28)/t17-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide?
(3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide has a molecular weight of 415.40 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-[3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-yl]-3-phenylpropanamide is sourced from PubChem (CID 95787756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).