(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C15H17Cl2N3O2 — CID 30720215

IUPAC(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N[C@H](C)c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C15H17Cl2N3O2/c1-8-6-14(22-20-8)19-15(21)10(3)18-9(2)12-5-4-11(16)7-13(12)17/h4-7,9-10,18H,1-3H3,(H,19,21)/t9-,10+/m1/s1
InChIKeyFVHJECICISEBJL-ZJUUUORDSA-N
MW342.23 g/mol
LogP3.97
Rot. Bonds5

About (2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 30720215) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is (2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID30720215
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N[C@H](C)c2ccc(Cl)cc2Cl)on1
InChIInChI=1S/C15H17Cl2N3O2/c1-8-6-14(22-20-8)19-15(21)10(3)18-9(2)12-5-4-11(16)7-13(12)17/h4-7,9-10,18H,1-3H3,(H,19,21)/t9-,10+/m1/s1
InChIKeyFVHJECICISEBJL-ZJUUUORDSA-N
XLogP3.97
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720301
2-[1-(2-fluorophenyl)ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 42896225
(2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 124614367
2-[1-(2,4-dichlorophenyl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 86908821
(2S)-2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94180754
2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide
CID 43112445
2-[1-(2,4-dichlorophenyl)ethylamino]-N-prop-2-ynylpropanamide
CID 43112448
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774
1-(2,4-dichlorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 60719338
(2R)-2-[[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 52526891
N-(5-acetamido-2-methoxyphenyl)-2-[1-(2,4-dichlorophenyl)ethylamino]propanamide
CID 46527155
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 30720215) is (2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)[C@H](C)N[C@H](C)c2ccc(Cl)cc2Cl)on1.
What is the InChIKey of (2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is FVHJECICISEBJL-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-8-6-14(22-20-8)19-15(21)10(3)18-9(2)12-5-4-11(16)7-13(12)17/h4-7,9-10,18H,1-3H3,(H,19,21)/t9-,10+/m1/s1.
What are the key properties of (2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 342.23 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 30720215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).