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

C23H19ClN2O3 — CID 118259645

IUPAC2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1Cl
InChIInChI=1S/C23H19ClN2O3/c1-14-7-6-10-20(21(14)24)28-15(2)22(27)25-17-11-12-19-18(13-17)26-23(29-19)16-8-4-3-5-9-16/h3-13,15H,1-2H3,(H,25,27)
InChIKeyILNSFMYCUYCDEC-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.86
Rot. Bonds5

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

2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 118259645) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID118259645
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1Cl
InChIInChI=1S/C23H19ClN2O3/c1-14-7-6-10-20(21(14)24)28-15(2)22(27)25-17-11-12-19-18(13-17)26-23(29-19)16-8-4-3-5-9-16/h3-13,15H,1-2H3,(H,25,27)
InChIKeyILNSFMYCUYCDEC-UHFFFAOYSA-N
XLogP5.86
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,3-dichlorophenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259642
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
2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71661724
2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259636
(2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296649
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
2-(2-bromophenoxy)-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 17172262
(2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296650
(2S)-2-(2,3-dichlorophenoxy)-N-[2-(1,3-thiazol-2-yl)-1,3-benzoxazol-5-yl]propanamide
CID 71662424
2-(2,4-dichlorophenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17092674

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide (CID 118259645) is 2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is Cc1cccc(OC(C)C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1Cl.
What is the InChIKey of 2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is ILNSFMYCUYCDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-14-7-6-10-20(21(14)24)28-15(2)22(27)25-17-11-12-19-18(13-17)26-23(29-19)16-8-4-3-5-9-16/h3-13,15H,1-2H3,(H,25,27).
What are the key properties of 2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide?
2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 406.87 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 118259645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).