(2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide

C20H19Cl2N3O3 — CID 97009143

IUPAC(2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide
SMILESCc1nc2cc(NC(=O)[C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)ccc2o1
InChIInChI=1S/C20H19Cl2N3O3/c1-12-23-17-11-14(3-5-18(17)28-12)24-20(26)19(25-6-8-27-9-7-25)15-4-2-13(21)10-16(15)22/h2-5,10-11,19H,6-9H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyYDNSEACVZDYZRB-IBGZPJMESA-N
MW420.30 g/mol
LogP4.46
Rot. Bonds4

About (2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide

(2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide (PubChem CID 97009143) has the molecular formula C20H19Cl2N3O3 and a molecular weight of 420.30 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide
PubChem CID97009143
Molecular FormulaC20H19Cl2N3O3
Molecular Weight420.30 g/mol
Exact Mass419.08
IUPAC Name(2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide
SMILESCc1nc2cc(NC(=O)[C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)ccc2o1
InChIInChI=1S/C20H19Cl2N3O3/c1-12-23-17-11-14(3-5-18(17)28-12)24-20(26)19(25-6-8-27-9-7-25)15-4-2-13(21)10-16(15)22/h2-5,10-11,19H,6-9H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyYDNSEACVZDYZRB-IBGZPJMESA-N
XLogP4.46
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-2-morpholin-4-ylacetamide
CID 139005024
(2S)-N-[3-(carbamoylamino)phenyl]-2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 97217806
2-(2,4-dichlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-morpholin-4-ylacetamide
CID 138995622
(2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25348758
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474428
4-[[2-(2,4-dichlorophenyl)-2-morpholin-4-ylacetyl]amino]butanoic acid
CID 119352757
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 31922526
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 41042415
4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 25474421

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide (CID 97009143) is (2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide is Cc1nc2cc(NC(=O)[C@H](c3ccc(Cl)cc3Cl)N3CCOCC3)ccc2o1.
What is the InChIKey of (2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide?
The InChIKey is YDNSEACVZDYZRB-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19Cl2N3O3/c1-12-23-17-11-14(3-5-18(17)28-12)24-20(26)19(25-6-8-27-9-7-25)15-4-2-13(21)10-16(15)22/h2-5,10-11,19H,6-9H2,1H3,(H,24,26)/t19-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide?
(2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide has a molecular weight of 420.30 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 97009143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).