N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C19H19ClN2O5 — CID 2524752

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCOc1cc(OC)c(NC(=O)CCCn2c(=O)oc3ccccc32)cc1Cl
InChIInChI=1S/C19H19ClN2O5/c1-25-16-11-17(26-2)13(10-12(16)20)21-18(23)8-5-9-22-14-6-3-4-7-15(14)27-19(22)24/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,21,23)
InChIKeyCHTKPRPVDILYKF-UHFFFAOYSA-N
MW390.82 g/mol
LogP3.68
Rot. Bonds7

About N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 2524752) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID2524752
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCOc1cc(OC)c(NC(=O)CCCn2c(=O)oc3ccccc32)cc1Cl
InChIInChI=1S/C19H19ClN2O5/c1-25-16-11-17(26-2)13(10-12(16)20)21-18(23)8-5-9-22-14-6-3-4-7-15(14)27-19(22)24/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,21,23)
InChIKeyCHTKPRPVDILYKF-UHFFFAOYSA-N
XLogP3.68
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-2-(hydroxymethyl)propane-1,3-diol;3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-1,3-benzoxazol-3-yl]propanoic acid
CID 118174598
2-Amino-2-(hydroxymethyl)propane-1,3-diol;3-[5-chloro-6-(cyclopropylmethoxy)-2-oxo-1,3-benzoxazol-3-yl]propanoic acid
CID 118174613
2-Amino-2-(hydroxymethyl)propane-1,3-diol;3-(5-chloro-6-ethoxy-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
CID 118174645
2-Amino-2-(hydroxymethyl)propane-1,3-diol;3-(5-chloro-6-cyclopropyloxy-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
CID 118174652
2-Amino-2-(hydroxymethyl)propane-1,3-diol;3-(5-chloro-2-oxo-6-propan-2-yloxy-1,3-benzoxazol-3-yl)propanoic acid
CID 118174669
3-(5-Chloro-6-methoxy-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
CID 118174712
2-Amino-2-(hydroxymethyl)propane-1,3-diol;3-[5-chloro-6-(2-methoxyethoxy)-2-oxo-1,3-benzoxazol-3-yl]propanoic acid
CID 118174719
2-Amino-2-(hydroxymethyl)propane-1,3-diol;3-(5-chloro-2-oxo-6-phenylmethoxy-1,3-benzoxazol-3-yl)propanoic acid
CID 118174786
3-(5-Chloranyl-6-Ethoxy-2-Oxidanylidene-1,3-Benzoxazol-3-Yl)propanoic Acid
CID 118174646
N-(3-chloro-4-methoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 2443449
2-(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 4244215
N-benzyl-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 4880305

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 2524752) is N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is COc1cc(OC)c(NC(=O)CCCn2c(=O)oc3ccccc32)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is CHTKPRPVDILYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-25-16-11-17(26-2)13(10-12(16)20)21-18(23)8-5-9-22-14-6-3-4-7-15(14)27-19(22)24/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 390.82 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 2524752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).