(2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

C23H21N3O5 — CID 73296650

IUPAC(2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1cccc(O[C@H](C)C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1OC
InChIInChI=1S/C23H21N3O5/c1-14(30-20-6-4-5-19(28-2)21(20)29-3)22(27)25-16-7-8-18-17(13-16)26-23(31-18)15-9-11-24-12-10-15/h4-14H,1-3H3,(H,25,27)/t14-/m1/s1
InChIKeyGMAPNQAGUQCFQS-CQSZACIVSA-N
MW419.44 g/mol
LogP4.31
Rot. Bonds7

About (2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

(2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 73296650) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
PubChem CID73296650
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name(2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1cccc(O[C@H](C)C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1OC
InChIInChI=1S/C23H21N3O5/c1-14(30-20-6-4-5-19(28-2)21(20)29-3)22(27)25-16-7-8-18-17(13-16)26-23(31-18)15-9-11-24-12-10-15/h4-14H,1-3H3,(H,25,27)/t14-/m1/s1
InChIKeyGMAPNQAGUQCFQS-CQSZACIVSA-N
XLogP4.31
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71661724
2-naphthalen-1-yloxy-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 67473155
(2R)-2-[2-chloro-3-(trifluoromethyl)phenoxy]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296649
(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-(2-chloro-3-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259645
(2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71662588
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
2-(3-chlorophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 73296653
2-(2,4-dichlorophenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17092674
(2S)-2-(naphthalen-1-ylamino)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71662776

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of (2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (CID 73296650) is (2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is COc1cccc(O[C@H](C)C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1OC.
What is the InChIKey of (2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is GMAPNQAGUQCFQS-CQSZACIVSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-14(30-20-6-4-5-19(28-2)21(20)29-3)22(27)25-16-7-8-18-17(13-16)26-23(31-18)15-9-11-24-12-10-15/h4-14H,1-3H3,(H,25,27)/t14-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
(2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 419.44 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 73296650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).