N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide

C17H16ClN3O4S — CID 23648638

IUPACN-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCOc1ccc(Oc2ncc(-c3cc(C(C)NC(C)=O)on3)s2)c(Cl)c1
InChIInChI=1S/C17H16ClN3O4S/c1-9(20-10(2)22)15-7-13(21-25-15)16-8-19-17(26-16)24-14-5-4-11(23-3)6-12(14)18/h4-9H,1-3H3,(H,20,22)
InChIKeyQCPOLSODEJPJKU-UHFFFAOYSA-N
MW393.85 g/mol
LogP4.45
Rot. Bonds6

About N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide

N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (PubChem CID 23648638) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
PubChem CID23648638
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC NameN-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
SMILESCOc1ccc(Oc2ncc(-c3cc(C(C)NC(C)=O)on3)s2)c(Cl)c1
InChIInChI=1S/C17H16ClN3O4S/c1-9(20-10(2)22)15-7-13(21-25-15)16-8-19-17(26-16)24-14-5-4-11(23-3)6-12(14)18/h4-9H,1-3H3,(H,20,22)
InChIKeyQCPOLSODEJPJKU-UHFFFAOYSA-N
XLogP4.45
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[3-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
CID 69439042
2-(2-chloro-4-methoxyphenoxy)-5-[chloro(nitroso)methyl]-1,3-thiazole
CID 91175623
N-[1-[3-[2-[3-chloro-4-(cyclopropylmethylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
CID 141350277
N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide
CID 57411276
N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
CID 141350287
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 56751364
2-[(1R)-1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
CID 69435608
ethyl (3S)-3-[[5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoate
CID 42216719
tert-butyl N-[4-[[5-[5-(1-acetamidoethyl)-1H-pyrazol-3-yl]-1,3-thiazol-2-yl]oxy]phenyl]carbamate
CID 141350292
methyl 4-(2-chloro-4-methoxyphenoxy)-3,5-diiodobenzoate
CID 15462368
N-[(2S)-4-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide
CID 123623068
N-[(1S)-1-[3-[3-[[4-(3-methoxyphenyl)phenoxy]methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide
CID 144608731

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The IUPAC name of N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide (CID 23648638) is N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is COc1ccc(Oc2ncc(-c3cc(C(C)NC(C)=O)on3)s2)c(Cl)c1.
What is the InChIKey of N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
The InChIKey is QCPOLSODEJPJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c1-9(20-10(2)22)15-7-13(21-25-15)16-8-19-17(26-16)24-14-5-4-11(23-3)6-12(14)18/h4-9H,1-3H3,(H,20,22).
What are the key properties of N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide?
N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide has a molecular weight of 393.85 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 23648638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).