N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide

C19H17BrN2O3 — CID 17014692

IUPACN-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1
InChIInChI=1S/C19H17BrN2O3/c1-2-11-24-16-9-5-14(6-10-16)19(23)21-18-12-17(22-25-18)13-3-7-15(20)8-4-13/h3-10,12H,2,11H2,1H3,(H,21,23)
InChIKeySGQRMKADIWLYER-UHFFFAOYSA-N
MW401.26 g/mol
LogP5.15
Rot. Bonds6

About N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide

N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide (PubChem CID 17014692) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide
PubChem CID17014692
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC NameN-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1
InChIInChI=1S/C19H17BrN2O3/c1-2-11-24-16-9-5-14(6-10-16)19(23)21-18-12-17(22-25-18)13-3-7-15(20)8-4-13/h3-10,12H,2,11H2,1H3,(H,21,23)
InChIKeySGQRMKADIWLYER-UHFFFAOYSA-N
XLogP5.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.26
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide
CID 17014685
N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-4-pentoxybenzamide
CID 35344022
methyl N-[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]carbamate
CID 174638480
N-(4-bromo-2-iodophenyl)-4-propoxybenzamide
CID 3888317
N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
CID 8863043
5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid
CID 2258349
4-(2-methylpropoxy)-N-(3-phenyl-1,2-oxazol-5-yl)benzamide;trideca-1,2,3,4,5,6,7,8,9,10,11,12-dodecaene
CID 160707197
[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892868
5-chloro-3-(4-propoxyphenyl)-1,2-oxazole
CID 80646468
5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
CID 53360252
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-2-(2,6-dimethylphenoxy)acetamide
CID 17014686
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide?
The IUPAC name of N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide (CID 17014692) is N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide.
What is the SMILES notation for N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide?
The canonical SMILES for N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1.
What is the InChIKey of N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide?
The InChIKey is SGQRMKADIWLYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-2-11-24-16-9-5-14(6-10-16)19(23)21-18-12-17(22-25-18)13-3-7-15(20)8-4-13/h3-10,12H,2,11H2,1H3,(H,21,23).
What are the key properties of N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide?
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide has a molecular weight of 401.26 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-propoxybenzamide is sourced from PubChem (CID 17014692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).