2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide

C23H20N2O3 — CID 118259636

IUPAC2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C23H20N2O3/c1-15-8-11-19(12-9-15)27-16(2)22(26)24-18-10-13-21-20(14-18)25-23(28-21)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,24,26)
InChIKeyAVGHKYYSAPRDTO-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.21
Rot. Bonds5

About 2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide

2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 118259636) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID118259636
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/C23H20N2O3/c1-15-8-11-19(12-9-15)27-16(2)22(26)24-18-10-13-21-20(14-18)25-23(28-21)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,24,26)
InChIKeyAVGHKYYSAPRDTO-UHFFFAOYSA-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-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1098892
2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259641
(2S)-2-(2-chlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259676
2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 67473155
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(3-methylphenoxy)propanamide
CID 9349857
2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259645
(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259642
2-phenyl-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259648
(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
2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71661724

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (CID 118259636) is 2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is Cc1ccc(OC(C)C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is AVGHKYYSAPRDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-8-11-19(12-9-15)27-16(2)22(26)24-18-10-13-21-20(14-18)25-23(28-21)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,24,26).
What are the key properties of 2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)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 2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 118259636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).