(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide

C23H20N2O3 — CID 9349857

IUPAC(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1
InChIInChI=1S/C23H20N2O3/c1-15-6-5-7-19(14-15)27-16(2)22(26)24-18-12-10-17(11-13-18)23-25-20-8-3-4-9-21(20)28-23/h3-14,16H,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyPQZQOGAJSCGXQS-MRXNPFEDSA-N
MW372.42 g/mol
LogP5.21
Rot. Bonds5

About (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide

(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide (PubChem CID 9349857) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide
PubChem CID9349857
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1
InChIInChI=1S/C23H20N2O3/c1-15-6-5-7-19(14-15)27-16(2)22(26)24-18-12-10-17(11-13-18)23-25-20-8-3-4-9-21(20)28-23/h3-14,16H,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyPQZQOGAJSCGXQS-MRXNPFEDSA-N
XLogP5.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1098892
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-chlorophenoxy)propanamide
CID 9323078
2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259636
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide
CID 2900094
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2200168
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42280162
(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42280164
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylbutanamide
CID 2966077
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide (CID 9349857) is (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(O[C@H](C)C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1.
What is the InChIKey of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is PQZQOGAJSCGXQS-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-6-5-7-19(14-15)27-16(2)22(26)24-18-12-10-17(11-13-18)23-25-20-8-3-4-9-21(20)28-23/h3-14,16H,1-2H3,(H,24,26)/t16-/m1/s1.
What are the key properties of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide?
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 372.42 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 9349857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).