N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide

C17H17ClF3N3O5 — CID 155264893

IUPACN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCC(O)CCNC(=O)c1cc(C(F)F)no1
InChIInChI=1S/C17H17ClF3N3O5/c18-11-2-1-10(5-12(11)19)28-8-15(26)23-7-9(25)3-4-22-17(27)14-6-13(16(20)21)24-29-14/h1-2,5-6,9,16,25H,3-4,7-8H2,(H,22,27)(H,23,26)
InChIKeyHREUTYNPHIXNFV-UHFFFAOYSA-N
MW435.79 g/mol
LogP2.08
Rot. Bonds10

About N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide (PubChem CID 155264893) has the molecular formula C17H17ClF3N3O5 and a molecular weight of 435.79 g/mol. Its IUPAC name is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide
PubChem CID155264893
Molecular FormulaC17H17ClF3N3O5
Molecular Weight435.79 g/mol
Exact Mass435.08
IUPAC NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCC(O)CCNC(=O)c1cc(C(F)F)no1
InChIInChI=1S/C17H17ClF3N3O5/c18-11-2-1-10(5-12(11)19)28-8-15(26)23-7-9(25)3-4-22-17(27)14-6-13(16(20)21)24-29-14/h1-2,5-6,9,16,25H,3-4,7-8H2,(H,22,27)(H,23,26)
InChIKeyHREUTYNPHIXNFV-UHFFFAOYSA-N
XLogP2.08
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.79
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 155265110
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 155264683
3-tert-butyl-N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-1,2-oxazole-5-carboxamide
CID 155264678
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-2-[4-(difluoromethyl)phenoxy]acetamide
CID 138632447
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-fluorobutyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 155264479
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-5-(hydroxymethyl)pyridine-2-carboxamide
CID 155264762
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 155302933
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxybutyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 138632728
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 155264948
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-5-(trifluoromethyl)furan-3-carboxamide
CID 155265120
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetyl]amino]-3-hydroxybutyl]acetamide
CID 155303042
2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-fluorobutyl]acetamide
CID 138632382

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide (CID 155264893) is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide is O=C(COc1ccc(Cl)c(F)c1)NCC(O)CCNC(=O)c1cc(C(F)F)no1.
What is the InChIKey of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is HREUTYNPHIXNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O5/c18-11-2-1-10(5-12(11)19)28-8-15(26)23-7-9(25)3-4-22-17(27)14-6-13(16(20)21)24-29-14/h1-2,5-6,9,16,25H,3-4,7-8H2,(H,22,27)(H,23,26).
What are the key properties of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide?
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 435.79 g/mol, XLogP of 2.08, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155264893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).