(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide

C19H20ClN3O3 — CID 25344260

IUPAC(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C19H20ClN3O3/c1-10-7-15(18(25-4)9-14(10)20)23-19(24)11(2)21-13-5-6-17-16(8-13)22-12(3)26-17/h5-9,11,21H,1-4H3,(H,23,24)/t11-/m1/s1
InChIKeyCKXNCLUJIQZDKZ-LLVKDONJSA-N
MW373.84 g/mol
LogP4.55
Rot. Bonds5

About (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide

(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide (PubChem CID 25344260) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
PubChem CID25344260
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc2oc(C)nc2c1
InChIInChI=1S/C19H20ClN3O3/c1-10-7-15(18(25-4)9-14(10)20)23-19(24)11(2)21-13-5-6-17-16(8-13)22-12(3)26-17/h5-9,11,21H,1-4H3,(H,23,24)/t11-/m1/s1
InChIKeyCKXNCLUJIQZDKZ-LLVKDONJSA-N
XLogP4.55
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide with MolForge

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Related Compounds

(2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474150
(2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25348758
(2R)-N-(4-methoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25349306
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474138
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474428
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide
CID 41022398
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25341128
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 40919410
(2S)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 25342725
(2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25354769
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
The IUPAC name of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide (CID 25344260) is (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide.
What is the SMILES notation for (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
The canonical SMILES for (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide is COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Nc1ccc2oc(C)nc2c1.
What is the InChIKey of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
The InChIKey is CKXNCLUJIQZDKZ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-10-7-15(18(25-4)9-14(10)20)23-19(24)11(2)21-13-5-6-17-16(8-13)22-12(3)26-17/h5-9,11,21H,1-4H3,(H,23,24)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide has a molecular weight of 373.84 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide is sourced from PubChem (CID 25344260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).