3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide

C15H13Cl2FN4O3 — CID 145159512

IUPAC3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide
SMILESClc1cc(-c2ncon2)[nH]c1Cl.O=C(NCCO)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2.C6H3Cl2N3O/c10-8-3-1-7(2-4-8)9(13)11-5-6-12;7-3-1-4(10-5(3)8)6-9-2-12-11-6/h1-4,12H,5-6H2,(H,11,13);1-2,10H
InChIKeyZJLXQAPJFYTULV-UHFFFAOYSA-N
MW387.20 g/mol
LogP2.92
Rot. Bonds4

About 3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide

3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 145159512) has the molecular formula C15H13Cl2FN4O3 and a molecular weight of 387.20 g/mol. Its IUPAC name is 3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide
PubChem CID145159512
Molecular FormulaC15H13Cl2FN4O3
Molecular Weight387.20 g/mol
Exact Mass386.03
IUPAC Name3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide
SMILESClc1cc(-c2ncon2)[nH]c1Cl.O=C(NCCO)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO2.C6H3Cl2N3O/c10-8-3-1-7(2-4-8)9(13)11-5-6-12;7-3-1-4(10-5(3)8)6-9-2-12-11-6/h1-4,12H,5-6H2,(H,11,13);1-2,10H
InChIKeyZJLXQAPJFYTULV-UHFFFAOYSA-N
XLogP2.92
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.20
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(2-hydroxyethyl)benzamide;3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 145159431
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 145159516
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 145159463
4-fluoro-N-(2-hydroxyethyl)benzamide;3-[4-(3-fluorooxetan-3-yl)phenyl]-1,2,4-oxadiazole
CID 145159519
3-[4-(fluoromethyl)phenyl]-1,2,4-oxadiazole;N-(2-hydroxyethyl)benzamide
CID 145159457
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 111108380
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-(3-aminopropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119407873
3-[(4-fluorobenzoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 110888564
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
4-(4-hydroxybut-1-ynyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106406745
N-[2-(ethylamino)ethyl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119508201

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide (CID 145159512) is 3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide is Clc1cc(-c2ncon2)[nH]c1Cl.O=C(NCCO)c1ccc(F)cc1.
What is the InChIKey of 3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is ZJLXQAPJFYTULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2.C6H3Cl2N3O/c10-8-3-1-7(2-4-8)9(13)11-5-6-12;7-3-1-4(10-5(3)8)6-9-2-12-11-6/h1-4,12H,5-6H2,(H,11,13);1-2,10H.
What are the key properties of 3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide?
3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 387.20 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dichloro-1H-pyrrol-2-yl)-1,2,4-oxadiazole;4-fluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 145159512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).